On the solutions of fractional reaction-diffusion equations

Directory of Open Access Journals (Sweden)

Jagdev Singh

2013-05-01

Full Text Available In this paper, we obtain the solution of a fractional reaction-diffusion equation associated with the generalized Riemann-Liouville fractional derivative as the time derivative and Riesz-Feller fractional derivative as the space-derivative. The results are derived by the application of the Laplace and Fourier transforms in compact and elegant form in terms of Mittag-Leffler function and H-function. The results obtained here are of general nature and include the results investigated earlier by many authors.

QRTEngine: An easy solution for running online reaction time experiments using Qualtrics

NARCIS (Netherlands)

Barnhoorn, Jonathan Sebastiaan; Haasnoot, Erwin; Bocanegra, Bruno R.; van Steenbergen, Henk

2015-01-01

Performing online behavioral research is gaining increased popularity among researchers in psychological and cognitive science. However, the currently available methods for conducting online reaction time experiments are often complicated and typically require advanced technical skills. In this

Reactions of alkylnitrosoureas in aqueous solution

International Nuclear Information System (INIS)

Snyder, J.K.; Stock, L.M.

1980-01-01

The acid- and base-catalyzed decompositions of N-methyl-,N,N'-dimethyl-, and N,N',N'-trimethyl-N-nitrosourea in aqueous solution have been studied. Below pH 2, the N-methyl compound undergoes both denitrosation and hydrolysis to yield methylurea, nitrous acid, methylamine, nitrogen, and carbon dioxide. The acid-catalyzed denitrosation and hydrolysis of the trimethylnitrosourea are somewhat more rapid than the corresponding reactions of N-methyl-N-nitrosourea. The solvent isotope effect, k/sub H 2 O//k/sub D 2 O/ = 1.3, and the absence of chloride ion catalysis suggest that the denitrosation reaction proceeds by a rate-determining proton transfer which is followed by the rapid loss of the nitroso group. The results for the hydrolysis reaction are compatible with a formulation in which a hydrate of the nitrosourea is protonated in a rate-determining step to form a tetrahedral intermediate which subsequently decomposes to yield methyldiazonium hydroxide and a carbamic acid derivative. The base-catalyzed reactions of the mono, di-, and trimethylnitrosoureas are first order in hydroxide ion over a broad pH range. The hydrolysis of N-methyl-N-nitrosourea yields methanol and derivatives of carbamic acid. Salt effects on the reaction rate are negligible except for the influence of lithium ion. The rate constants for the hydrolysis of the mono- and dimethyl compounds depend upon the buffer concentrationat pH 9.5. The rate constants for the hydrolysis of the trimethyl compound also depend upon the buffer concentration, but a limiting value is not achieved. The solvent isotope effect for the base-catalyzed reaction, the exchange reaction of water- 18 O with the carbonyl group of the urea, and the fact that N-methyl-N-nitrosourea is hydrolyzed about 2.2 x 10 4 times more rapidly than N,N',N'-trimethyl-N-nitrosourea suggest that the hydrolysis occurs by a mechanism in which a tetrahedral intermediate is formed

Kinetics of transuranium element oxidation-reduction reactions in solution; Cinetique des reactions d'oxydo-reduction des elements transuraniens en solution

Energy Technology Data Exchange (ETDEWEB)

Gourisse, D. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1966-09-01

A review of the kinetics of U, Np, Pu, Am oxidation-reduction reactions is proposed. The relations between the different activation thermodynamic functions (compensatory effect, formal entropy of the activated complex, magnitude of reactions velocities) are considered. The effects of acidity, ionic strength deuterium and mixed solvents polarity on reactions rates are described. The effect of different anions on reactions rates are explained by variations of the reaction standard free energy and variations of the activation free energy (coulombic interactions) resulting from the complexation of dissolved species by these anions. (author) [French] Une revue systematique de la cinetique des reactions d'oxydo-reduction des elements U, Np, Pu, Am, en solution perchlorique est proposee. Des considerations relatives aux grandeurs thermodynamiques d'activation associees aux actes elementaires (effet de compensation, entropie standard des complexes actives, rapidite des reactions) sont developpees. L'influence de l'acidite, de la force ionique, de l'eau lourde et de la polarite des solvants mixtes sur la vitesse des reactions est decrite. Enfin l'influence des differents anions sur la vitesse des reactions est expliquee par les variations de l'enthalpie libre standard de la reaction et de l'enthalpie libre d'activation (travail des forces electrostatiques) resultant de la complexation des especes dissoutes dans la solution. (auteur)

Existence and Stability of Traveling Waves for Degenerate Reaction-Diffusion Equation with Time Delay

Science.gov (United States)

Huang, Rui; Jin, Chunhua; Mei, Ming; Yin, Jingxue

2018-01-01

This paper deals with the existence and stability of traveling wave solutions for a degenerate reaction-diffusion equation with time delay. The degeneracy of spatial diffusion together with the effect of time delay causes us the essential difficulty for the existence of the traveling waves and their stabilities. In order to treat this case, we first show the existence of smooth- and sharp-type traveling wave solutions in the case of c≥c^* for the degenerate reaction-diffusion equation without delay, where c^*>0 is the critical wave speed of smooth traveling waves. Then, as a small perturbation, we obtain the existence of the smooth non-critical traveling waves for the degenerate diffusion equation with small time delay τ >0 . Furthermore, we prove the global existence and uniqueness of C^{α ,β } -solution to the time-delayed degenerate reaction-diffusion equation via compactness analysis. Finally, by the weighted energy method, we prove that the smooth non-critical traveling wave is globally stable in the weighted L^1 -space. The exponential convergence rate is also derived.

Existence and Stability of Traveling Waves for Degenerate Reaction-Diffusion Equation with Time Delay

Science.gov (United States)

Huang, Rui; Jin, Chunhua; Mei, Ming; Yin, Jingxue

2018-06-01

This paper deals with the existence and stability of traveling wave solutions for a degenerate reaction-diffusion equation with time delay. The degeneracy of spatial diffusion together with the effect of time delay causes us the essential difficulty for the existence of the traveling waves and their stabilities. In order to treat this case, we first show the existence of smooth- and sharp-type traveling wave solutions in the case of c≥c^* for the degenerate reaction-diffusion equation without delay, where c^*>0 is the critical wave speed of smooth traveling waves. Then, as a small perturbation, we obtain the existence of the smooth non-critical traveling waves for the degenerate diffusion equation with small time delay τ >0. Furthermore, we prove the global existence and uniqueness of C^{α ,β }-solution to the time-delayed degenerate reaction-diffusion equation via compactness analysis. Finally, by the weighted energy method, we prove that the smooth non-critical traveling wave is globally stable in the weighted L^1-space. The exponential convergence rate is also derived.

Solutes and cells - aspects of advection-diffusion-reaction phenomena in biochips

DEFF Research Database (Denmark)

Vedel, Søren

2012-01-01

the dependencies on density. This shows that the varied single-cell behavior including the overall modulations imposed by density arise as a natural consequence of pseudopod-driven motility in a social context. The final subproject concerns the combined effects of advection, diffusion and reaction of several......Cell’), and the overall title of the project is Solutes and cells — aspects of advection-diffusion-reaction phenomena in biochips. The work has consisted of several projects focusing on theory, and to some extend analysis of experimental data, with advection-diffusion-reaction phenomena of solutes as the recurring theme...... quantitatively interpret the proximal concentration of specific solutes, and integrate this to achieve biological functions. In three specific examples, the author and co-workers have investigated different aspects of the influence of advection, diffusion and reaction on solute distributions, as well...

Some reactions of oxidizing radicals with enzymes in aqueous solution

International Nuclear Information System (INIS)

Cundall, R.B.; Bisby, R.H.; Hoe, S.T.; Sims, H.E.; Anderson, R.F.

1979-01-01

A range of oxidizing radicals including some inorganic radical anions and the superoxide radical, can be generated by radiolysis of aqueous solutions. These radicals are more selective in their reactions with amino acids than the hydroxyl radical. Factors controlling the apparent reactivity of radical anions with proteins, such as free radical equilibria and ion-binding, are described. The superoxide radical inactivates papain by reaction with the cysteine residue. This reaction has been studied in solutions subjected to radiations of varying linear energy transfer. (Auth.)

Selected specific rates of reactions of transients from water in aqueous solution. Hydrated electron, supplemental data. [Reactions with transients from water, with inorganic solutes, and with solutes

Energy Technology Data Exchange (ETDEWEB)

Ross, A.B.

1975-06-01

A compilation of rates of reactions of hydrated electrons with other transients and with organic and inorganic solutes in aqueous solution appeared in NSRDS-NBS 43, and covered the literature up to early 1971. This supplement includes additional rates which have been published through July 1973.

Studies of the reactions of hydrogen atoms by time-resolved E. S. R. spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Fessenden, R W; Verma, N C [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA). Dept. of Chemistry

1977-01-01

Time-resolved e.s.r. spectroscopy has been used to follow directly the reactions of H atoms produced by pulse radiolysis of acid solutions. Detailed analysis of the time profile of the e.s.r. signal was carried out by means of modified Bloch equations. The increased signal found when a scavenger for OH such as t-butyl alcohol is present is shown to be mainly the result of slower H atom decay by radical-radical reaction. The reaction H + OH does not appear to produce any signal polarization. The decay curves observed in the presence of solute are readily accounted for by the treatment, and good plots of pseudo first-order rate constant against solute concentration are obtained. The absolute rate constants for reaction with H atoms are for methanol 2.5 x10/sup 6/, for ethanol 2.1 X 10/sup 7/, for isopropanol 6.8 x 10/sup 7/, and for succinic acid 3.0 x 10/sup 6/ dm/sup 3/ mol/sup -1/s/sup -1/. These values are in good agreement with the earlier chemical measurements.

Instabilities in fluid layers and in reaction-diffusion systems: Steady states, time-periodic solutions, non-periodic attractors, and related convective and otherwise non-linear phenomena

Energy Technology Data Exchange (ETDEWEB)

Garcia Velarde, M

1977-07-01

Thermo convective instabilities in horizontal fluid layers are discussed with emphasis on the Rayleigh-Bernard model problem. Steady solutions and time-dependent phenomena (relaxation oscillations and transition to turbulence) are studied within the nonlinear Boussinesq-Oberbeck approximation. Homogeneous steady solutions, limit cycles, and inhomogeneous (ordered) spatial structures are also studied in simple reaction-diffusion systems. Lastly, the non-periodic attractor that appears at large Rayleigh numbers in the truncated Boussinesq-Oberbeck model of Lorenz, is constructed, and a discussion of turbulent behavior is given. (Author) 105 refs.

Instabilities in fluid layers and in reaction-diffusion systems: Steady states, time-periodic solutions, non-periodic attractors, and related convective and otherwise non-linear phenomena

International Nuclear Information System (INIS)

Garcia Velarde, M.

1977-01-01

Thermoconvective instabilities in horizontal fluid layers are discussed with emphasis on the Rayleigh-Benard model problem. Steady solutions and time-dependent phenomena (relaxation oscillations and transition to turbulence) are studied within the nonlinear Boussinesq-Oberbeck approximation. Homogeneous steady solutions, limit cycles, and inhomogeneous (ordered) spatial structures are also studied in simple reaction-diffusion systems. Lastly, the non-periodic attractor that appears at large Rayleigh numbers in the truncated Boussinesq-Oberbeck model of Lorenz, is constructed, and a discussion of turbulent behavior is given. (author) [es

Instabilities in fluid layers and in reaction-diffusion systems: Steady states, time-periodic solutions, non-periodic attractors, and related convective and otherwise non-linear phenomena

International Nuclear Information System (INIS)

Garcia Velarde, M.

1977-01-01

Thermo convective instabilities in horizontal fluid layers are discussed with emphasis on the Rayleigh-Bernard model problem. Steady solutions and time-dependent phenomena (relaxation oscillations and transition to turbulence) are studied within the nonlinear Boussinesq-Oberbeck approximation. Homogeneous steady solutions, limit cycles, and inhomogeneous (ordered) spatial structures are also studied in simple reaction-diffusion systems. Lastly, the non-periodic attractor that appears at large Rayleigh numbers in the truncated Boussinesq-Oberbeck model of Lorenz, is constructed, and a discussion of turbulent behavior is given. (Author) 105 refs

One-electron reduction reactions with enzymes in solution

International Nuclear Information System (INIS)

Bisby, R.H.; Cundall, R.B.; Redpath, J.L.; Adams, G.E.

1976-01-01

At pH 8 and above, hydrated electrons react with ribonuclease lysozyme and α-chymotrypsin to form transient products whose spectra resemble, but are not identical to, those for the RSSR - radical anion already known for simple disulphides. Assuming a value for the extinction coefficient similar to that for RSSR - in simple disulphides, only a fraction of the hydrated electrons are shown to react with the disulphide bridges: the remainder react at other sites in the protein molecule, such as histidine, tyrosine and, in lysozyme, tryptophan residues, giving rise to comparatively weak optical absorptions between 300 and 400 nm. This has been substantiated by studying the reaction of e - sub(aq) with subtilisin Novo (an enzyme which does not contain disulphide bridges), with enzymes in which the sulphur bridges have been oxidised and with some amino acid derivatives. On lowering the pH of the solution the intensity of the RSSR - absorption diminishes as the protonated histidine residues become the favoured reaction sites. In acid solutions (pH 2 to 3) the transient optical absoptions observed are due to reactions of hydrogen atoms with the aromatic amino acids tyrosine, tryptophan and phenylalanine. The CO - 2 radical anion is only observed to transfer an electron to disulphide groups in ribonuclease, although the effect of repeated pulsing shows that some reaction must occur elsewhere in the protein molecule. In acid solutions, protonation of the electron adduct appears to produce the RSSRH. radical, whose spectrum has a maximum at 340 nm. (author)

Existence of global solutions to reaction-diffusion systems via a Lyapunov functional

Directory of Open Access Journals (Sweden)

Said Kouachi

2001-10-01

Full Text Available The purpose of this paper is to construct polynomial functionals (according to solutions of the coupled reaction-diffusion equations which give $L^{p}$-bounds for solutions. When the reaction terms are sufficiently regular, using the well known regularizing effect, we deduce the existence of global solutions. These functionals are obtained independently of work done by Malham and Xin [11].

Real time monitoring of accelerated chemical reactions by ultrasonication-assisted spray ionization mass spectrometry.

Science.gov (United States)

Lin, Shu-Hsuan; Lo, Ta-Ju; Kuo, Fang-Yin; Chen, Yu-Chie

2014-01-01

Ultrasonication has been used to accelerate chemical reactions. It would be ideal if ultrasonication-assisted chemical reactions could be monitored by suitable detection tools such as mass spectrometry in real time. It would be helpful to clarify reaction intermediates/products and to have a better understanding of reaction mechanism. In this work, we developed a system for ultrasonication-assisted spray ionization mass spectrometry (UASI-MS) with an ~1.7 MHz ultrasonic transducer to monitor chemical reactions in real time. We demonstrated that simply depositing a sample solution on the MHz-based ultrasonic transducer, which was placed in front of the orifice of a mass spectrometer, the analyte signals can be readily detected by the mass spectrometer. Singly and multiply charged ions from small and large molecules, respectively, can be observed in the UASI mass spectra. Furthermore, the ultrasonic transducer used in the UASI setup accelerates the chemical reactions while being monitored via UASI-MS. The feasibility of using this approach for real-time acceleration/monitoring of chemical reactions was demonstrated. The reactions of Girard T reagent and hydroxylamine with steroids were used as the model reactions. Upon the deposition of reactant solutions on the ultrasonic transducer, the intermediate/product ions are readily generated and instantaneously monitored using MS within 1 s. Additionally, we also showed the possibility of using this reactive UASI-MS approach to assist the confirmation of trace steroids from complex urine samples by monitoring the generation of the product ions. Copyright © 2014 John Wiley & Sons, Ltd.

Numerical solutions of several reflected shock-wave flow fields with nonequilibrium chemical reactions

Science.gov (United States)

Hanson, R. K.; Presley, L. L.; Williams, E. V.

1972-01-01

The method of characteristics for a chemically reacting gas is used in the construction of the time-dependent, one-dimensional flow field resulting from the normal reflection of an incident shock wave at the end wall of a shock tube. Nonequilibrium chemical reactions are allowed behind both the incident and reflected shock waves. All the solutions are evaluated for oxygen, but the results are generally representative of any inviscid, nonconducting, and nonradiating diatomic gas. The solutions clearly show that: (1) both the incident- and reflected-shock chemical relaxation times are important in governing the time to attain steady state thermodynamic properties; and (2) adjacent to the end wall, an excess-entropy layer develops wherein the steady state values of all the thermodynamic variables except pressure differ significantly from their corresponding Rankine-Hugoniot equilibrium values.

Estimating Reaction Rate Coefficients Within a Travel-Time Modeling Framework

Energy Technology Data Exchange (ETDEWEB)

Gong, R [Georgia Institute of Technology; Lu, C [Georgia Institute of Technology; Luo, Jian [Georgia Institute of Technology; Wu, Wei-min [Stanford University; Cheng, H. [Stanford University; Criddle, Craig [Stanford University; Kitanidis, Peter K. [Stanford University; Gu, Baohua [ORNL; Watson, David B [ORNL; Jardine, Philip M [ORNL; Brooks, Scott C [ORNL

2011-03-01

A generalized, efficient, and practical approach based on the travel-time modeling framework is developed to estimate in situ reaction rate coefficients for groundwater remediation in heterogeneous aquifers. The required information for this approach can be obtained by conducting tracer tests with injection of a mixture of conservative and reactive tracers and measurements of both breakthrough curves (BTCs). The conservative BTC is used to infer the travel-time distribution from the injection point to the observation point. For advection-dominant reactive transport with well-mixed reactive species and a constant travel-time distribution, the reactive BTC is obtained by integrating the solutions to advective-reactive transport over the entire travel-time distribution, and then is used in optimization to determine the in situ reaction rate coefficients. By directly working on the conservative and reactive BTCs, this approach avoids costly aquifer characterization and improves the estimation for transport in heterogeneous aquifers which may not be sufficiently described by traditional mechanistic transport models with constant transport parameters. Simplified schemes are proposed for reactive transport with zero-, first-, nth-order, and Michaelis-Menten reactions. The proposed approach is validated by a reactive transport case in a two-dimensional synthetic heterogeneous aquifer and a field-scale bioremediation experiment conducted at Oak Ridge, Tennessee. The field application indicates that ethanol degradation for U(VI)-bioremediation is better approximated by zero-order reaction kinetics than first-order reaction kinetics.

Exact solutions of certain nonlinear chemotaxis diffusion reaction ...

Indian Academy of Sciences (India)

constructed coupled differential equations. The results obtained ... Nonlinear diffusion reaction equation; chemotaxis; auxiliary equation method; solitary wave solutions. ..... fact limits the scope of applications of the derived results. ... Research Fellowship and AP acknowledges DU and DST for PURSE grant for financial.

Reaction of the H atom in gamma-irradiated ferrous sulphate solutions

International Nuclear Information System (INIS)

Mathews, R.W.

1977-10-01

The effect of sulphuric acid, ferrous and ferric ion, and oxygen concentrations on G(Fe 3+ ) values from cobalt-60 gamma-irradiated soltuions has been studied. Kinetic expressions were derived for reaction models involving reactions of various forms of the H atom and additional reactions postulated to be of importance at high solute concentration. Three models were assumed invoking the additional reactions: (1) an independent yield of an excited water species; (2) increasing contributions from interspur reactions of well established species at increasing solute concentration; (3) inhibition of charge pair recombination by acid and scavenger species. The calculated G(Fe 3+ ) values from the various models were compared by the least squares method with experimental G(Fe 3+ ) values from over 600 irradiations. Model 3 provided the best fit to the data for the least number of adjustable parameters. No evidence for more than one form of H atom was found with this model. (J.R.)

Chemiluminescence development after initiation of Maillard reaction in aqueous solutions of glycine and glucose: nonlinearity of the process and cooperative properties of the reaction system

Science.gov (United States)

Voeikov, Vladimir L.; Naletov, Vladimir I.

1998-06-01

Nonenzymatic glycation of free or peptide bound amino acids (Maillard reaction, MR) plays an important role in aging, diabetic complications and atherosclerosis. MR taking place at high temperatures is accompanied by chemiluminescence (CL). Here kinetics of CL development in MR proceeding in model systems at room temperature has been analyzed for the first time. Brief heating of glycine and D-glucose solutions to t greater than 93 degrees Celsius results in their browning and appearance of fluorescencent properties. Developed In solutions rapidly cooled down to 20 degrees Celsius a wave of CL. It reached maximum intensity around 40 min after the reaction mixture heating and cooling it down. CL intensity elevation was accompanied by certain decoloration of the solution. Appearance of light absorbing substances and development of CL depended critically upon the temperature of preincubation (greater than or equal to 93 degrees Celsius), initial pH (greater than or equal to 11,2), sample volume (greater than or equal to 0.5 ml) and reagents concentrations. Dependence of total counts accumulation on a system volume over the critical volume was non-monotonous. After reaching maximum values CL began to decline, though only small part of glucose and glycin had been consumed. Brief heating of such solutions to the critical temperature resulted in emergence of a new CL wave. This procedure could be repeated in one and the same reaction system for several times. Whole CL kinetic curve best fitted to lognormal distribution. Macrokinetic properties of the process are characteristic of chain reactions with delayed branching. Results imply also, that self-organization occurs in this system, and that the course of the process strongly depends upon boundary conditions and periodic interference in its course.

Solitary wave solutions of selective nonlinear diffusion-reaction ...

Indian Academy of Sciences (India)

An auto-Bäcklund transformation derived in the homogeneous balance method is employed to obtain several new exact solutions of certain kinds of nonlin- ear diffusion-reaction (D-R) equations. These equations arise in a variety of problems in physical, chemical, biological, social and ecological sciences. Keywords.

The role of reversed kinematics and double kinematic solutions in nuclear reactions studies

International Nuclear Information System (INIS)

Kaplan, M.; Parker, W.E.; Moses, D.J.; Lacey, R.; Alexander, J.M.

1993-01-01

The advantages of reversed kinematics in nuclear reactions studies are discussed, with particular emphasis on the origin of double solutions in the reaction kinematics. This possibility for double solutions does not exist in normal kinematics, and provides the basis for a new method of imposing important experimental constraints on the uniqueness of fitting complex observations. By gating on one or the other of the two solutions, light particle kinematics can be greatly influenced in coincidence measurements. The power of the method is illustrated with data for the reaction 1030 MeV 121 Sb+ 27 Al, where charged particle emissions arise from several different sources. (orig.)

PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

Science.gov (United States)

Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.

2004-01-01

The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a

Typewriting rate as a function of reaction time.

Science.gov (United States)

Hayes, V; Wilson, G D; Schafer, R L

1977-12-01

This study was designed to determine the relationship between reaction time and typewriting rate. Subjects were 24 typists ranging in age from 19 to 39 yr. Reaction times (.001 sec) to a light were recorded for each finger and to each alphabetic character and three punctuation marks. Analysis of variance yielded significant differences in reaction time among subjects and fingers. Correlation between typewriting rate and average reaction time to the alphabetic characters and three punctuation marks was --.75. Correlation between typewriting rate and the difference between the reaction time of the hands was --.42. Factors influencing typewriting rate may include reaction time of the fingers, difference between the reaction time of the hands, and reaction time to individual keys on the typewriter. Implications exist for instructional methodology and further research.

Structure and reaction of electrolytic solution. Denkaishitsu yoeki no kozo to hanno

Energy Technology Data Exchange (ETDEWEB)

Otaki, H. (Okazaki National Research Inst., Aichi (Japan))

1990-07-05

An electrolytic solution has been recognized as an ion transporting system since the oldest time in the history of electrochemistry, and the chemistry related thereto forms the most basic field of electrochemistry. In this article, the progress of chemistry concerning electrolytic solutions since M. Faraday is briefly stated, and in view of very scanty structural knowledge available on other solutions in comparison with the structure of water on which extensive studies have been made, the respective structures of such non-aqueous solutions as the mixed solvent of N,N-dimethylformamide (DMF)-acetonitrile (AN) and the mixed solvent of dimethylsulfoxide (DMSO)-2,2,2-triphloroethanol (TFE) are studied. In addition, concerning the solvation when ions exist in such a non-aqueous solvent mixed system, the selective solvation of Cu {sup 2+} ions in the DMF-AN and Cu {sup 2+} as well as Cl {sup {minus}} ions in the DMSO-TFE is respectively explained, and the solvent effect, etc. of Cu {sup 2+} ions and Cl {sup {minus}} ions on the complex forming reaction are discussed. 17 refs., 8 figs., 2 tabs.

Reaction path sampling of the reaction between iron(II) and hydrogen peroxide in aqueous solution

NARCIS (Netherlands)

Ensing, B.; Baerends, E.J.

2002-01-01

Previously, we have studied the coordination and dissociation of hydrogen peroxide with iron(II) in aqueous solution by Car-Parrinello molecular dynamics at room temperature. We presented a few illustrative reaction events, in which the ferryl ion ([Fe(IV)O

[Alanine solution as enzyme reaction buffer used in A to O blood group conversion].

Science.gov (United States)

Li, Su-Bo; Zhang, Xue; Zhang, Yin-Ze; Tan, Ying-Xia; Bao, Guo-Qiang; Wang, Ying-Li; Ji, Shou-Ping; Gong, Feng; Gao, Hong-Wei

2014-06-01

The aim of this study was to investigate the effect of alanine solution as α-N-acetylgalactosaminidase enzyme reaction buffer on the enzymatic activity of A antigen. The binding ability of α-N-acetylgalactosaminidase with RBC in different reaction buffer such as alanine solution, glycine solution, normal saline (0.9% NaCl), PBS, PCS was detected by Western blot. The results showed that the efficiency of A to O conversion in alanine solution was similar to that in glycine solution, and Western blot confirmed that most of enzymes blinded with RBC in glycine or alanine solution, but few enzymes blinded with RBC in PBS, PCS or normal saline. The evidences indicated that binding of enzyme with RBC was a key element for A to O blood group conversion, while the binding ability of α-N-acetylgalactosaminidase with RBC in alanine or glycine solution was similar. It is concluded that alanine solution can be used as enzyme reaction buffer in A to O blood group conversion. In this buffer, the α-N-acetylgalactosaminidase is closely blinded with RBC and α-N-acetylgalactosaminidase plays efficient enzymatic activity of A antigen.

A mathematical model for chemical reactions with actinide elements in the aqueous nitric acid solution: REACT

International Nuclear Information System (INIS)

Tachimori, Shoichi

1990-02-01

A mathematical model of chemical reactions with actinide elements: REACT code, was developed to simulate change of valency states of U, Pu and Np in the aqueous nitric acid solution. Twenty seven rate equations for the redox reactions involving some reductants, disproportionation reactions, and radiolytic growth and decay reaction of nitrous acid were programmed in the code . Eight numerical solution methods such as Porsing method to solve the rate equations were incorporated parallel as options depending on the characteristics of the reaction systems. The present report gives a description of the REACT code, e.g., chemical reactions and their rate equations, numerical solution methods, and some examples of the calculation results. A manual and a source file of the program was attached to the appendix. (author)

Efficient Computational Research Protocol to Survey Free Energy Surface for Solution Chemical Reaction in the QM/MM Framework: The FEG-ER Methodology and Its Application to Isomerization Reaction of Glycine in Aqueous Solution.

Science.gov (United States)

Takenaka, Norio; Kitamura, Yukichi; Nagaoka, Masataka

2016-03-03

In solution chemical reaction, we often need to consider a multidimensional free energy (FE) surface (FES) which is analogous to a Born-Oppenheimer potential energy surface. To survey the FES, an efficient computational research protocol is proposed within the QM/MM framework; (i) we first obtain some stable states (or transition states) involved by optimizing their structures on the FES, in a stepwise fashion, finally using the free energy gradient (FEG) method, and then (ii) we directly obtain the FE differences among any arbitrary states on the FES, efficiently by employing the QM/MM method with energy representation (ER), i.e., the QM/MM-ER method. To validate the calculation accuracy and efficiency, we applied the above FEG-ER methodology to a typical isomerization reaction of glycine in aqueous solution, and reproduced quite satisfactorily the experimental value of the reaction FE. Further, it was found that the structural relaxation of the solute in the QM/MM force field is not negligible to estimate correctly the FES. We believe that the present research protocol should become prevailing as one computational strategy and will play promising and important roles in solution chemistry toward solution reaction ergodography.

A New Approach and Solution Technique to Solve Time Fractional Nonlinear Reaction-Diffusion Equations

Directory of Open Access Journals (Sweden)

Inci Cilingir Sungu

2015-01-01

Full Text Available A new application of the hybrid generalized differential transform and finite difference method is proposed by solving time fractional nonlinear reaction-diffusion equations. This method is a combination of the multi-time-stepping temporal generalized differential transform and the spatial finite difference methods. The procedure first converts the time-evolutionary equations into Poisson equations which are then solved using the central difference method. The temporal differential transform method as used in the paper takes care of stability and the finite difference method on the resulting equation results in a system of diagonally dominant linear algebraic equations. The Gauss-Seidel iterative procedure then used to solve the linear system thus has assured convergence. To have optimized convergence rate, numerical experiments were done by using a combination of factors involving multi-time-stepping, spatial step size, and degree of the polynomial fit in time. It is shown that the hybrid technique is reliable, accurate, and easy to apply.

Solution of time dependent atmospheric diffusion equation with a proposed diffusion coefficient

International Nuclear Information System (INIS)

Mayhoub, A.B.; Essa, KH.S.M.; Aly, SH.

2004-01-01

One-dimensional model for the dispersion of passive atmospheric contaminant (not included chemical reactions) in the atmospheric boundary layer is considered. On the basis of the gradient transfer theory (K-theory), the time dependent diffusion equation represents the dispersion of the pollutants is solved analytically. The solution depends on diffusion coefficient K', which is expressed in terms of the friction velocity 'u the vertical coordinate -L and the depth of the mixing layer 'h'. The solution is obtained to either the vertical coordinate 'z' is less or greater than the mixing height 'h'. The obtained solution may be applied to study the atmospheric dispersion of pollutants

Time-dependent, many-body scattering theory and nuclear reaction applications

International Nuclear Information System (INIS)

Levin, F.S.

1977-01-01

The channel component state form of the channel coupling array theory of many-body scattering is briefly reviewed. These states obey a non-hermitian matrix equation whose exact solution yields the Schroedinger eigenstates, eigenvalues and scattering amplitudes. A time-dependent formulation of the theory is introduced in analogy to the time-dependent Schrodinger equation and several consequences of the development are noted. These include an interaction picture, a single (matrix) S operator, and the usual connection between the t = 0 time-dependent and the time-independent scattering states. Finally, the channel component states (psi/sub j/) are shown to have the useful property that only psi/sub j/ has (two-body) outgoing waves in channel j: psi/sub m/, m not equal to j, is asymptotically zero in two-body channel j. This formalism is then considered as a means for direct nuclear reaction analysis. Typical bound state approximations are introduced and it is shown that a DWBA amplitude occurs in only one channel. The non-time-reversal invariance of the approximate theory is noted. Results of calculations based on a realistic model for two sets of light-ion induced, one-particle transfer reactions are discussed and compared with the coupled reaction channel (CRC) results using the CRC procedure of Cotanch and Vincent. Angular distributions for the two calculational methods are found to be similar in shape and magnitude. Higher ordercorrections are small as are time-reversal non-invariant effects. Post- and prior-type CRC calculations are seen to differ; the latter are closer to the full CRC results

The kinetics of free radical metathetical and addition reactions in silane solutions

International Nuclear Information System (INIS)

Aloni, R.

1976-12-01

In this work radiolytic technique was employed for the initiation of free radical chainreactions in silane solution. The kinetic analysis of the chain mechanism in various solutions enabled the determination of the Arrhenius parameters for metathesis, addition and unimolecular decomposition reactions which make up the chainpropagation sequence in the systems studied. The following radical reactions were investigated: chlorine atom abstraction from chloromethanes by SiCl 3 and Et 3 Si radicals, and chlorine atom abstraction from chloroethanes by Et 3 Si radicals; unimolecular decomposition reactions and hydrogen atom abstraction, *from the solvent, of chloroethyl radicals in triethylsilane solutions; addition and abstraction reactions of Et 3 Si radicals with chloroolefins. Arrhenius parameters were determined for abstraction of chlorine atom from CH 3 Cl, CH 2 Cl 2 , CHCl 3 and CCl 4 , by SiCl 3 radicals and from CCl 4 , CHCl 3 , CH 2 Cl 2 , CCl 3 CN, C 2 Cl 5 H, sym-C 2 Cl 4 H 2 , asym-C 2 Cl 4 H 2 , 1.1.1-C 2 Cl 3 H 3 , 1.1.1-C 2 Dl 3 F 3 and 1.1-C 2 Cl 2 H 4 by Et 3 Si radicals. (author)

Connecting the dots: Semi-analytical and random walk numerical solutions of the diffusion–reaction equation with stochastic initial conditions

Energy Technology Data Exchange (ETDEWEB)

Paster, Amir, E-mail: paster@tau.ac.il [Environmental Fluid Mechanics Laboratories, Dept. of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, IN (United States); School of Mechanical Engineering, Tel Aviv University, Tel Aviv, 69978 (Israel); Bolster, Diogo [Environmental Fluid Mechanics Laboratories, Dept. of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, IN (United States); Benson, David A. [Hydrologic Science and Engineering, Colorado School of Mines, Golden, CO, 80401 (United States)

2014-04-15

We study a system with bimolecular irreversible kinetic reaction A+B→∅ where the underlying transport of reactants is governed by diffusion, and the local reaction term is given by the law of mass action. We consider the case where the initial concentrations are given in terms of an average and a white noise perturbation. Our goal is to solve the diffusion–reaction equation which governs the system, and we tackle it with both analytical and numerical approaches. To obtain an analytical solution, we develop the equations of moments and solve them approximately. To obtain a numerical solution, we develop a grid-less Monte Carlo particle tracking approach, where diffusion is modeled by a random walk of the particles, and reaction is modeled by annihilation of particles. The probability of annihilation is derived analytically from the particles' co-location probability. We rigorously derive the relationship between the initial number of particles in the system and the amplitude of white noise represented by that number. This enables us to compare the particle simulations and the approximate analytical solution and offer an explanation of the late time discrepancies. - Graphical abstract:.

Transient modeling of non-Fickian transport and first-order reaction using continuous time random walk

Science.gov (United States)

Burnell, Daniel K.; Hansen, Scott K.; Xu, Jie

2017-09-01

Contaminants in groundwater may experience a broad spectrum of velocities and multiple rates of mass transfer between mobile and immobile zones during transport. These conditions may lead to non-Fickian plume evolution which is not well described by the advection-dispersion equation (ADE). Simultaneously, many groundwater contaminants are degraded by processes that may be modeled as first-order decay. It is now known that non-Fickian transport and reaction are intimately coupled, with reaction affecting the transport operator. However, closed-form solutions for these important scenarios have not been published for use in applications. In this paper, we present four new Green's function analytic solutions in the uncoupled, uncorrelated continuous time random walk (CTRW) framework for reactive non-Fickian transport, corresponding to the quartet of conservative tracer solutions presented by Kreft and Zuber (1978) for Fickian transport. These consider pulse injection for both resident and flux concentration combined with detection in both resident and flux concentration. A pair of solutions for resident concentration temporal pulses with detection in both flux and resident concentration is also presented. We also derive the relationship between flux and resident concentration for non-Fickian transport with first-order reaction for this CTRW formulation. An explicit discussion of employment of the new solutions to model transport with arbitrary upgradient boundary conditions as well as mobile-immobile mass transfer is then presented. Using the new solutions, we show that first-order reaction has no effect on the anomalous spatial spreading rate of concentration profiles, but produces breakthrough curves at fixed locations that appear to have been generated by Fickian transport. Under the assumption of a Pareto CTRW transition distribution, we present a variety of numerical simulations including results showing coherence of our analytic solutions and CTRW particle

Suzuki coupling reactions catalyzed by poly(N-ethyl-4-vinylpyridinium bromide stabilized palladium nanoparticles in aqueous solution

Directory of Open Access Journals (Sweden)

2008-04-01

Full Text Available InIn this work, it was investigated to use of poly(N-ethyl-4-vinylpyridinium bromide stabilized palladium nanoparticles in the Suzuki reaction between phenylboronic acid and aryl halides in aqueous solution. The nanoparticles were isolated and re-used several times with low loss of activity.

Reductive and oxidative reactions with inorganic colloids in aqueous solution initiated by ultrasound

International Nuclear Information System (INIS)

Mulvaney, P.C.; Sostaric, J.Z.; Ashokkumar, M.; Grieser, F.

1998-01-01

Full text: The absorption of ultrasound in an aqueous solution can lead to the formation of H and OH radicals which can act as redox species or react with solutes to produce secondary radicals which themselves may participate in electron transfer reactions. The radical formation occurs through the growth then rapid collapse of microbubbles a process that produces localised hot spots with an internal temperature of the order of 5000 K. We have examined two colloidal systems one involving the reductive dissolution of MnO 2 colloids and the other the oxidative dissolution of CdS colloids. In the case of MnO 2 dissolution we found that the reduction of the colloidal metal oxide was considerably enhanced in the presence of aliphatic alcohols in solution and the longer the alkyl chain length on the alcohol the greater its effect. The dissolution of CdS colloids which we ascribe to the reaction of H 2 O 2 and O 2 - with the metal sulfide lo yield Cd 2+ and S could be significantly retarded by the presence of excess S 2- in solution. The mechanisms involved in these two dissolution processes will he presented. Our results clearly show that sonochemical reactions are quite efficient in colloidal solutions and this fact needs to be considered when using sonication to disperse colloidal material in solution, a common practice among colloid chemists

Traveling wavefront solutions to nonlinear reaction-diffusion-convection equations

Science.gov (United States)

Indekeu, Joseph O.; Smets, Ruben

2017-08-01

Physically motivated modified Fisher equations are studied in which nonlinear convection and nonlinear diffusion is allowed for besides the usual growth and spread of a population. It is pointed out that in a large variety of cases separable functions in the form of exponentially decaying sharp wavefronts solve the differential equation exactly provided a co-moving point source or sink is active at the wavefront. The velocity dispersion and front steepness may differ from those of some previously studied exact smooth traveling wave solutions. For an extension of the reaction-diffusion-convection equation, featuring a memory effect in the form of a maturity delay for growth and spread, also smooth exact wavefront solutions are obtained. The stability of the solutions is verified analytically and numerically.

Traveling wavefront solutions to nonlinear reaction-diffusion-convection equations

International Nuclear Information System (INIS)

Indekeu, Joseph O; Smets, Ruben

2017-01-01

Physically motivated modified Fisher equations are studied in which nonlinear convection and nonlinear diffusion is allowed for besides the usual growth and spread of a population. It is pointed out that in a large variety of cases separable functions in the form of exponentially decaying sharp wavefronts solve the differential equation exactly provided a co-moving point source or sink is active at the wavefront. The velocity dispersion and front steepness may differ from those of some previously studied exact smooth traveling wave solutions. For an extension of the reaction-diffusion-convection equation, featuring a memory effect in the form of a maturity delay for growth and spread, also smooth exact wavefront solutions are obtained. The stability of the solutions is verified analytically and numerically. (paper)

Detection of microwave radiation of cytochrome CYP102 A1 solution during the enzyme reaction

Directory of Open Access Journals (Sweden)

Yu.D. Ivanov

2016-03-01

Full Text Available Microwave radiation at 3.4–4.2 GHz frequency of the cytochrome P450 CYP102 A1 (BM3 solution was registered during the lauric acid hydroxylation reaction. The microwave radiation generation was shown to occur following the addition of electron donor NADPH to a system containing an enzyme and a substrate. The radiation occurs for the enzyme solutions with enzyme concentrations of 10−8 and 10−9 М. The microwave radiation effect elicited by the aqueous enzyme solution was observed for the first time. The results obtained can be used to elaborate a new approach to enzyme systems research, including studying of the mechanism of interaction of a functioning enzyme system with microenvironment.

The interplay between hydrogen evolution reaction and nitrate reduction on boron-doped diamond in aqueous solution: the effect of alkali cations

International Nuclear Information System (INIS)

Manzo-Robledo, A.; Lévy-Clément, C.; Alonso-Vante, N.

2014-01-01

The nitrate ion reduction was studied on boron-doped diamond (BDD) electrodes by real-time on-line differential electrochemical mass spectrometry (DEMS) coupled with chronoamperometry in K + , Na + cation-containing electrolyte solutions. It was found, via steady state voltammetry, that the hydrogen evolution reaction (HER) was affected by the presence of K + or Na + . A moderate HER occurs in K + -containing electrolyte solution favoring the reaction between NO 3 − and H 2 species, whereas in Na + -containing electrolyte solutions, the HER kinetics was more important leading to a suppression of molecular nitrogen generation. The use of isotope-labeled nitrogen and DEMS confirmed the influence of alkali cations toward the nitrate ion reduction

Chemical behaviour of americium in natural aquatic solutions: Hydrolysis, radiolysis and redox reactions

International Nuclear Information System (INIS)

Stadler, S.; Kim, J.I.

1988-06-01

Hydrolysis and redox reactions of the Am(III) and Am(V) ions have been investigated in NaClO 4 and NaCl solutions as well as in natural saline groundwaters. The hydrolysis constants of Am(OH) n 3-n species and the solubility product of Am(OH) 3 (s) have been determined in 0.1 M NaClO 4 , 0.1 M NaCl and 0.6 M NaCl solutions. As observed in concentrated NaCl solutions (> 3 M), the α-radiation induces the radiolytic oxidation of the Cl - -ion to produce Cl 2 , HClO, ClO - and other oxidized species, which result in a strongly oxidizing medium. Consequently Am(III) is oxidized to Am(V). Under these conditions the hydrolysis constants of AmO 2 (OH) n 1-n species and the solubility product are also determined. The α-radiation induced radiolysis reactions in NaCl solution and the subsequent oxidation reaction of Am(III) have been systematically investigated by varying pH, NaCl concentration and specific α-activity. Also included in the investigation are a few selected groundwaters of relatively high salinity from the Gorleben aquifer systems. (orig.) [de

Entropy-based critical reaction time for mixing-controlled reactive transport

DEFF Research Database (Denmark)

Chiogna, Gabriele; Rolle, Massimo

2017-01-01

Entropy-based metrics, such as the dilution index, have been proposed to quantify dilution and reactive mixing in solute transport problems. In this work, we derive the transient advection dispersion equation for the entropy density of a reactive plume. We restrict our analysis to the case where...... the concentration distribution of the transported species is Gaussian and we observe that, even in case of an instantaneous complete bimolecular reaction, dilution caused by dispersive processes dominates the entropy balance at early times and results in the net increase of the entropy density of a reactive species...

Determination of redox reaction rates and orders by in situ liquid cell electron microscopy of Pd and Au solution growth.

Science.gov (United States)

Sutter, Eli A; Sutter, Peter W

2014-12-03

In-situ liquid cell transmission and scanning transmission electron microscopy (TEM/STEM) experiments are important, as they provide direct insight into processes in liquids, such as solution growth of nanoparticles, among others. In liquid cell TEM/STEM redox reaction experiments, the hydrated electrons e(-)aq created by the electron beam are responsible for the reduction of metal-ion complexes. Here we investigate the rate equation of redox reactions involving reduction by e(-)aq generated by the electron beam during in situ liquid TEM/STEM. Specifically we consider the growth of Pd on Au seeds in aqueous solutions containing Pd-chloro complexes. From the quantification of the rate of Pd deposition at different electron beam currents and as a function of distance from a stationary, nanometer-sized exciting beam, we determine that the reaction is first order with respect to the concentration of hydrated electrons, [e(-)aq]. By comparing Pd- and Au-deposition, we further demonstrate that measurements of the local deposition rate on nanoparticles in the solution via real-time imaging can be used to measure not only [e(-)aq] but also the rate of reduction of a metal-ion complex to zerovalent metal atoms in solution.

Time dependent solutions of the Fokker-Planck equation for fast fusion ions

International Nuclear Information System (INIS)

Gnavi, G.; Gratton, F.T.; Heyn, M.

1990-01-01

Approximate time dependent solutions for the Fokker-Planck equation for fast fusion ions from an isotropic, monoenergetic source are presented, for the problem of D - T - He 3 reactions. The equations include the effect of diffusion, which is particularly noticeable in the distribution of particles of lower energy and in the formation of a tail of particles with energy higher than that of the source. (Author)

Oligonucleotides as probes for studying polymerization reactions in dilute aqueous solution

Science.gov (United States)

Kolb, V.; Orgel, L. E.; Miller, S. L. (Principal Investigator)

1994-01-01

We have prepared a [32P]-labled oligonucleotide probe carrying a free primary amine at its 3'-terminus. This probe is used to initiate polymerization of aziridine (ethyleneimine) in aqueous solution. The nature of the oligomeric products and the kinetics of their formation are then monitored by gel electrophoresis. Our results are generally consistent with those obtained using conventional techniques. We have also investigated the effect of polyanionic templates on the rate of oligomerization of aziridine. We find that water-soluble polyanions generally accelerate the polymerization. The sodium salt of polymethacrylic acid is the most effective of the templates that we studied. The methods introduced in this paper should be applicable to a variety of polymerization reactions in aqueous solution. They should greatly simplify the screening of potentially prebiotic polymerization reactions.

Similarity solutions of reaction–diffusion equation with space- and time-dependent diffusion and reaction terms

Energy Technology Data Exchange (ETDEWEB)

Ho, C.-L. [Department of Physics, Tamkang University, Tamsui 25137, Taiwan (China); Lee, C.-C., E-mail: chieh.no27@gmail.com [Center of General Education, Aletheia University, Tamsui 25103, Taiwan (China)

2016-01-15

We consider solvability of the generalized reaction–diffusion equation with both space- and time-dependent diffusion and reaction terms by means of the similarity method. By introducing the similarity variable, the reaction–diffusion equation is reduced to an ordinary differential equation. Matching the resulting ordinary differential equation with known exactly solvable equations, one can obtain corresponding exactly solvable reaction–diffusion systems. Several representative examples of exactly solvable reaction–diffusion equations are presented.

Deviation from the kinetic law of mass action for reactions induced by binary encounters in liquid solutions

International Nuclear Information System (INIS)

Doktorov, Alexander B; Kipriyanov, Alexey A

2007-01-01

In considering the irreversible chemical reaction A+B→ C+B in liquid solutions two many-particle approaches to the derivation of binary non-Markovian kinetic equations are compared: simple superposition decoupling and a method of extracting 'pair' channels from three-particle correlation evolution. It is shown that both methods provide an almost identical description of this reaction. However, in studies of reversible reactions in liquid solutions only the channel extraction method gives a correct physically clear description of the reaction though it consists of a sequence of steps: the development of integral encounter theory (IET), effective pairs approximation (EPA), modified encounter theory (MET), and the final regular form (RF) of kinetic equations. It is shown that the rate equations often encountered in the literature correspond to the independence of transient channels of 'scattering' in the bimolecular reversible reaction (A+B -B), while the independent transient channel of 'decay' in the reversible reactionA+B -C is defined solely by time integral convolution. In the general case transient channels in non-Markovian theory are not independent, and their interference manifests itself as a non-Markovian inhomogeneous source in binary non-Markovian kinetic equations in regular form. Based on the derived equations new universal kinetics (independent of models) of chemical equilibrium attainment have been obtained. It is shown that these kinetics can differ essentially from the kinetics corresponding to the kinetic law of mass action of formal chemical kinetics

Nonlinear reaction-diffusion equations with delay: some theorems, test problems, exact and numerical solutions

Science.gov (United States)

Polyanin, A. D.; Sorokin, V. G.

2017-12-01

The paper deals with nonlinear reaction-diffusion equations with one or several delays. We formulate theorems that allow constructing exact solutions for some classes of these equations, which depend on several arbitrary functions. Examples of application of these theorems for obtaining new exact solutions in elementary functions are provided. We state basic principles of construction, selection, and use of test problems for nonlinear partial differential equations with delay. Some test problems which can be suitable for estimating accuracy of approximate analytical and numerical methods of solving reaction-diffusion equations with delay are presented. Some examples of numerical solutions of nonlinear test problems with delay are considered.

The effects of lithium hydroxide solution on alkali silica reaction gels created with opal

International Nuclear Information System (INIS)

Mitchell, Lyndon D.; Beaudoin, James J.; Grattan-Bellew, Patrick

2004-01-01

The reaction of Nevada opal with calcium hydroxide, potassium hydroxide and lithium hydroxide solutions was investigated. In addition, opal was exposed to a combined solution of these three hydroxides. The progress of the three reactions was followed using X-ray diffraction (XRD), 29 Si nuclear magnetic resonance (NMR) and scanning electron microscopy (SEM). The XRD results indicated the presence of a low-angle peak exclusive to the lithium-based reactions. The NMR results suggested a change in the silicate structure in the presence of lithium. These techniques indicated that the reaction of the alkali with the opal starting material is inhibited and perhaps stopped in the presence of lithium hydroxide. SEM revealed that the morphology of the reaction products on the surface of the reacted opal grains is markedly different invariably. It was concluded that evidence to support the theory of a protective layer exists and that the nature of the layer varies with ion type

PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

Science.gov (United States)

Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

2010-01-01

The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and

The Effect of Sports and Physical Activity on Elderly Reaction Time and Response Time

Directory of Open Access Journals (Sweden)

Abdolrahman Khezri

2014-07-01

Full Text Available Objectives: Physical activities ameliorate elderly motor and cognitive performance. The aim of this research is to study the effect of sport and physical activity on elderly reaction time and response time. Methods & Materials: The research method is causal-comparative and its statistical population consists of 60 active and non-active old males over 60 years residing at Mahabad city. Reaction time was measured by reaction timer apparatus, made in Takei Company (YB1000 model. Response time was measured via Nelson’s Choice- Response Movement Test. At first, reaction time and then response time was measured. For data analysis, descriptive statistic, K-S Test and One Sample T Test were used Results K-S Test show that research data was parametric. According to the results of this research, physical activity affected reaction time and response time. Results: of T test show that reaction time (P=0.000 and response time (P=0.000 of active group was statistically shorter than non- active group. Conclusion: The result of current study demonstrate that sport and physical activity, decrease reaction and response time via psychomotor and physiological positive changes.

Study of iodine-iodate isotopic exchange reaction in neutral aqueous solutions by radiotracer technique

International Nuclear Information System (INIS)

Tripathi, R.; Ram, K.D.

1993-01-01

The isotopic exchange of iodine atoms in neutral aqueous solutions of iodate ions and iodine (in KI) is found to obey the rate law R = k [IO 3 - ] 0.4 [I 2 ] 1.2 at 175 o C. The addition of neutral ionic salts, e.g. KCl and KNO 3 , in the reaction mixture showed a slight catalytic effect on the exchange rate. Further, the kinetic salt effect indicated the involvement of at least one neutral species on the rate-determining step. The activation energy in neutral aqueous solutions of iodate ions and iodine is found to be 86 ± 3 kJ mol -1 , which decreases in the presence of KCl (79 ± 3 kJ mol -1 and KNO 3 (82 + 3 kJ mol -1 ). The activation parameters, viz. free energy of activation, enthalpy of activation and entropy of activation, were also calculated. Based on these results, an association-dissociation type of reaction mechanism is proposed for this exchange reaction in neutral aqueous medium, similar to that proposed earlier for iodide-iodate isotopic exchange reaction in neutral aqueous solutions, nitrate eutectic melts and iodide-iodate melts. (author)

N-nitrosodimethylamine (NDMA) as a product of potassium permanganate reaction with aqueous solutions of dimethylamine (DMA).

Science.gov (United States)

Andrzejewski, Przemysław; Nawrocki, Jacek

2009-03-01

The reactivity of permanganate with dimethylamine, as possible path of NDMA formation, has been investigated. The results have shown that potassium permanganate reaction with aqueous solutions of dimethylamine (DMA) leads to the formation of N-nitrosodimethylamine (NDMA). The contact time, the molar ratio of permanganate and DMA, pH and presence of nitrite are the key factors influencing the efficiency of NDMA formation. Significant conversion rates of DMA to NDMA were observed only for the high doses of permanganate, which were many times higher than those typically used in water treatment. This reaction however is of importance for water treatment technology, since it shows the possibility of NDMA formation as a result of oxidation of DMA. It is likely that nitrosation is the main path of the reaction. An important role of MnO2 suspension, formed as a result of permanganate reduction in NDMA formation is emphasized. Significant influence of MnO2 suspension on NDMA formation should draw our attention to the potential impact of MnO2 activated filtration beds on NDMA formation.

Mechanism of redox reactions induced by light and electron pulse in solutions of mixed ligand iron(II) complex cyanides

International Nuclear Information System (INIS)

Horvath, A.; Szoeke, J.; Wojnarovits, L.

1991-01-01

Redox reactions induced by light and electron pulse have been studied in aqueous solutions of mixed ligand iron(II) complex cyanides. The short lived intermediates have been identified by time resolved specroscopy, the results of detailed kinetic analysis have been discussed. (author) 6 refs.; 3 figs.; 2 tabs

Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

Science.gov (United States)

Simpson, Matthew J

2015-01-01

Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).

Influence of container structures and content solutions on dispensing time of ophthalmic solutions

Directory of Open Access Journals (Sweden)

Keiji Yoshikawa

2010-05-01

Full Text Available Keiji Yoshikawa1, Hiroshi Yamada21Yoshikawa Eye Clinic, Tokyo, Japan; 2Santen Pharmaceutical Co., Ltd., Osaka, JapanPurpose: To investigate the influence of container structures and content solutions on the time of dispensing from eye dropper bottles.Methods: Eye dropper bottle models, solution models (filtrate water/surfactant solution and a dispensing time measuring apparatus were prepared to measure the dispensing time.Results: With filtrate water and pressure thrust load of 0.3 MPa, the dispensing time significantly increased from 1.1 ± 0.5 seconds to 4.6 ± 1.1 seconds depending on the decrease of inner aperture diameters from 0.4 mm to 0.2 mm (P < 0.0001. When using the bottle models with inner aperture diameters of 0.4 mm or larger, the dispensing time became constant. The dispensing time using surfactant solution showed the same tendency as above. When pressure thrust load was large (0.07 MPa, the solution flew out continuously with inner aperture diameters of 0.4 mm or larger and the dispensing time could not be measured. The inner aperture diameter most strongly explained the variation of the dispensing time in both the content solutions in the multiple linear regression analysis (filtrate water: 46%, R2 = 0.462, surfactant solution: 56%, R2 = 0.563.Conclusions: Among content solutions and container structures, the dispensing time was mostly influenced by the diameter of the inner aperture of bottles.Keywords: dispensing time, model eye dropper bottle, model ophthalmic solution, nozzle internal space volume, nozzle inner aperture diameter

Stripping reactions in a three-body system. Comparison of DWBA and exact solutions

International Nuclear Information System (INIS)

Brinati, J.R.

1976-01-01

Stripping reactions 'a estados no continuo' are studied in a three particle system. Since the three-body problem has an exact treatment, comparison will be made between the exact solution and the DWBA model solution. This problem is more complex in the continuous case, as shown in the convergence problem of the standard DWBA amplitude radial integral

Rate constant for reaction of vitamin C with protein radicals in γ-irradiated aqueous albumin solution at 295K

International Nuclear Information System (INIS)

Miyazaki, Tetsuo; Yoshimura, Toru; Mita, Kazuya; Suzuki, Keiji; Watanabe, Masami

1995-01-01

When an aqueous solution of albumin (0.1 kg dm -3 ) is irradiated by γ-rays at 295 K, albumin radicals with a long lifetime are observed by ESR. The reaction of vitamin C with the albumin radicals has been studied at 295 K in the albumin solution, which is considered as a model of cells. The rate constant for the reaction of vitamin C with the albumin radicals was measured as 0.014 dm 3 mol -1 S -1 , which is much smaller than the reported constants (10 6 -10 10 dm 3 mol -1 s -1 ) for the reaction of vitamin C with radicals in a dilute aqueous solution. The small rate constant for the reaction of vitamin C is ascribed to the reaction in polymer coils in the albumin solution, since vitamin C and albumin radicals diffuse very slowly in the coils. (author)

Solution phase and membrane immobilized iron-based free radical reactions: Fundamentals and applications for water treatment

Science.gov (United States)

Lewis, Scott Romak

Membrane-based separation processes have been used extensively for drinking water purification, wastewater treatment, and numerous other applications. Reactive membranes synthesized through functionalization of the membrane pores offer enhanced reactivity due to increased surface area at the polymer-solution interface and low diffusion limitations. Oxidative techniques utilizing free radicals have proven effective for both the destruction of toxic organics and non-environmental applications. Most previous work focuses on reactions in the homogeneous phase; however, the immobilization of reactants in membrane pores offers several advantages. The use of polyanions immobilized in a membrane or chelates in solution prevents ferric hydroxide precipitation at near-neutral pH, a common limitation of iron(Fe(II/III))-catalyzed hydrogen peroxide (H 2O2) decomposition. The objectives of this research are to develop a membrane-based platform for the generation of free radicals, degrade toxic organic compounds using this and similar solution-based reactions, degrade toxic organic compounds in droplet form, quantify hydroxyl radical production in these reactions, and develop kinetic models for both processes. In this study, a functionalized membrane containing poly(acrylic acid) (PAA) was used to immobilize iron ions and conduct free radical reactions by permeating H2O2 through the membrane. The membrane's responsive behavior to pH and divalent cations was investigated and modeled. The conversion of Fe(II) to Fe(III) in the membrane and its effect on the decomposition of hydrogen peroxide were monitored and used to develop kinetic models for predicting H2O2 decomposition in these systems. The rate of hydroxyl radical production, and hence contaminant degradation can be varied by changing the residence time, H2O2 concentration, and/or iron loading. Using these membrane-immobilized systems, successful removal of toxic organic compounds, such as pentachlorophenol (PCP), from water

Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

Directory of Open Access Journals (Sweden)

Matthew J Simpson

Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i the rate at which the domain elongates, (ii the diffusivity associated with the spreading density profile, (iii the reaction rate, and (iv the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t.

Rate constants for some electrophilic reactions of benzyl, benzhydryl, and trityl cations in solution

International Nuclear Information System (INIS)

Ujdak, R.J.; Jones, R.L.; Dorfman, L.M.

1976-01-01

Absolute rate constants have been determined by the pulse radiolysis technique for several electrophilic reactions of the benzyl, the benzhydryl, and the trityl cation in 1,2-dichloroethane solution. The rate constants for the reactions of these carbonium ions with chloride ion, with bromide ion, and with iodide ion are all very nearly the same, namely 6 x 10 10 M -1 s -1 at 24 0 C. The values very likely represent the diffusion controlled limit for the ion combination reactions. The rate constants for the reactions with triethylamine, tri-n-propylamine, and tri-n-butylamine range from 2.0 x 10 9 to 7 x 10 6 M -1 s -1 at 24 0 C. With increasing phenyl substitution, the decreasing trend in the magnitude of the rate constant is consistent with the combined electronic and steric effects. With increasing size of the amine, the decrease in the value of the rate constant seems to indicate that the steric effect predominates. The values of the rate constants for reactions of benzyl and benzhydryl cation with methanol, ethanol, and 2-propanol indicate the following. The rate constant is higher for reaction with the alcohol dimer in solution than with alcohol monomer. The rate constants for reaction with alcohol monomer have values of 1 x 10 8 M -1 s -1 or lower

High-Pressure-High-Temperature Processing Reduces Maillard Reaction and Viscosity in Whey Protein-Sugar Solutions.

Science.gov (United States)

Avila Ruiz, Geraldine; Xi, Bingyan; Minor, Marcel; Sala, Guido; van Boekel, Martinus; Fogliano, Vincenzo; Stieger, Markus

2016-09-28

The aim of the study was to determine the influence of pressure in high-pressure-high-temperature (HPHT) processing on Maillard reactions and protein aggregation of whey protein-sugar solutions. Solutions of whey protein isolate containing either glucose or trehalose at pH 6, 7, and 9 were treated by HPHT processing or conventional high-temperature (HT) treatments. Browning was reduced, and early and advanced Maillard reactions were retarded under HPHT processing at all pH values compared to HT treatment. HPHT induced a larger pH drop than HT treatments, especially at pH 9, which was not associated with Maillard reactions. After HPHT processing at pH 7, protein aggregation and viscosity of whey protein isolate-glucose/trehalose solutions remained unchanged. It was concluded that HPHT processing can potentially improve the quality of protein-sugar-containing foods, for which browning and high viscosities are undesired, such as high-protein beverages.

Recoil halogen reactions in liquid and frozen aqueous solutions of biomolecules

International Nuclear Information System (INIS)

Arsenault, L.J.; Blotcky, A.J.; Firouzbakht, M.L.; Rack, E.P.; Nebraska Univ., Omaha

1982-01-01

Reactions of recoil 38 Cl, 80 Br and 128 I have been studied in crystalline systems of 5-halouracil, 5-halo-2'-deoxyuridine and 5-halouridine as well as liquid and frozen aqueous solutions of these halogenated biomolecules. In all systems expect crystalline 5-iuodouracil the major product was the radio-labelled halide ion. There was no evidence for other halogen inorganic species. The major labelled organic product was the parent molecule. A recoil atom tracer technique was developed to acquire site information of the biomolecule solutes in the liquid and frozen aqueous systems. For all liquid and frozen aqueous systems, the halogenated biomolecules tended to aggregate. For liquid systems, the tendency for aggregation diminished as the solute concentration approached zero, where the probable state of the solute approached a monomolecular dispersion. Unlike the liquid state, the frozen ice lattice demonstated a ''caging effect'' for the solute aggregates which resulted in constant product yields over the whole concentration range. (orig.)

Coupling between solute transport and chemical reactions models

International Nuclear Information System (INIS)

Samper, J.; Ajora, C.

1993-01-01

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

Radiolytic reduction reaction of colloidal silver bromide solution

International Nuclear Information System (INIS)

Oya, Yasuhisa; Zushi, Takehiro; Hasegawa, Kunihiko; Matsuura, Tatsuo.

1995-01-01

The reduction reaction of colloidal silver bromide (AgBr 3 ) 2- in nitrous oxide gas saturated solution of some alcohols: methanol, ethanol, 2-propanol and 2-methyl-2-propanol by γ-irradiation was studied spectrophotometrically in order to elucidate the mechanism of the formation of colloidal silver bromide (AgBr 3 ) 3- at ambient temperature. The amount of colloidal silver bromide formed increases in the order: i-PrOH, EtOH, MeOH. In t-BuOH, colloidal silver bromide did not form. The relative reactivities of alcohols for colloidal silver bromide was also studied kinetically. (author)

Single determinantal reaction theory as a Schroedinger analog: the time-dependent S-matrix Hartree-Fock method

International Nuclear Information System (INIS)

Griffin, J.J.; Lichtner, P.C.; Dworzecka, M.; Kan, K.K.

1979-01-01

It is suggested that the TDHF method be viewed, not as an approximation to but as a model of the exact Schroedinger system; that is, as a gedanken many-body experiment whose analysis with digital computers provides data worthy in itself of theoretical study. From such a viewpoint attention is focused on the structural analogies of the TDHF system with the exact theory rather than upon its quantitative equivalence, and the TDHF many-body system is studied as a challenge of its own which, although much simpler than the realistic problem, may still offer complexity enough to educate theorists in the present state of knowledge. In this spirit, the TDHF description of continuum reactions can be restructured from an initial-value problem into a form analogous to the S-matrix version of the Schroedinger theory. The resulting TD-S-HF theory involves only self-consistent single determinantal solutions of the TDHF equations and invokes time averaging to obtain a consistent interpretation of the TDHF analogs of quantities which are constant in the exact theory, such as the S-matrix and the asymptotic reaction channel characteristics. Periodic solutions then play the role of stationary eigenstates in the construction of suitable asymptotic reaction channels. If these periodic channel states occur only at discrete energies, then the resulting channels are mutually orthogonal (on the time average) and the theory exhibits a structure fully analogous to the exact theory. In certain special cases where the periodic solutions are known to occur as an energy continuum, the requirement that the periodicity of the channel solutions be gauge invariant provides a natural requantization condition which (suggestively) turns out to be identical with the Bohr-Sommerfeld quantization rule. 11 references

A family of solutions with radiation reaction and retarded interactions for two charges in classical electrodynamics

International Nuclear Information System (INIS)

Rivera, R.; Villarroel, D.

2002-01-01

A family of solutions of the Lorentz-Dirac equation is constructed. It consists in the motion of two charges e 1 and e 2 of masses m 1 and m 2 in two coplanar and concentric circles of radii a and b. The charges rotate with constant angular velocity, and have an angular separation ψ. The radiation reaction forces and the retarded interactions between the charges are taken into account. The external electromagnetic field that allows the motion consists of a tangential time-independent electric field that takes a fixed value on each orbit, and a homogeneous time-independent magnetic field perpendicular to the plane of the motion. For all the solutions energy conservation is rigorously demonstrated by evaluating the energy radiated, with independence of the equation of motion, through the calculation of the instantaneous energy flux across a sphere of an infinitely large radius

On the predictions and limitations of the Becker–Döring model for reaction kinetics in micellar surfactant solutions

KAUST Repository

Griffiths, I.M.

2011-08-01

We investigate the breakdown of a system of micellar aggregates in a surfactant solution following an order-one dilution. We derive a mathematical model based on the Becker-Döring system of equations, using realistic expressions for the reaction constants fit to results from Molecular Dynamics simulations. We exploit the largeness of typical aggregation numbers to derive a continuum model, substituting a large system of ordinary differential equations for a partial differential equation in two independent variables: time and aggregate size. Numerical solutions demonstrate that re-equilibration occurs in two distinct stages over well-separated timescales, in agreement with experiment and with previous theories. We conclude by exposing a limitation in the Becker-Döring theory for re-equilibration of surfactant solutions. © 2011 Elsevier Inc.

Finite-time barriers to reaction front propagation

Science.gov (United States)

Locke, Rory; Mahoney, John; Mitchell, Kevin

2015-11-01

Front propagation in advection-reaction-diffusion systems gives rise to rich geometric patterns. It has been shown for time-independent and time-periodic fluid flows that invariant manifolds, termed burning invariant manifolds (BIMs), serve as one-sided dynamical barriers to the propagation of reaction front. More recently, theoretical work has suggested that one-sided barriers, termed burning Lagrangian Coherent structures (bLCSs), exist for fluid velocity data prescribed over a finite time interval, with no assumption on the time-dependence of the flow. In this presentation, we use a time-varying fluid ``wind'' in a double-vortex channel flow to demonstrate that bLCSs form the (locally) most attracting or repelling fronts.

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

OpenAIRE

Milla González, Miguel

2011-01-01

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

The effects of acute bout of cycling on auditory & visual reaction times.

Science.gov (United States)

Ashnagar, Zinat; Shadmehr, Azadeh; Jalaei, Shohreh

2015-04-01

The purpose of this study was to investigate the effects of an acute bout of cycling exercise on auditory choice reaction time, visual choice reaction time, auditory complex choice reaction time and visual complex choice reaction time. 29 subjects were randomly divided into experimental and control groups. The subjects of the experimental group carried out a single bout of submaximal cycling exercise. The auditory choice reaction time, visual choice reaction time, auditory complex choice reaction time and visual complex choice reaction times were measured before and after the exercise session. The reaction time tests were taken from the subjects by using Speed Anticipation and Reaction Tester (SART) software. In the control group, the reaction time tests were performed by the subjects with an interval of 30 min. In the experimental group, the percentage changes of mean auditory choice and complex choice reaction time values were significantly decreased in comparison with the control group (P visual choice and complex choice reaction times were decreased after the exercise, the changes were not significant (P > 0.05). An acute bout of cycling exercise improved the speed of auditory and visual reaction times in healthy young females. However, these positive changes were significantly observed only in the auditory reaction time tests in comparison with the control group. Copyright © 2014 Elsevier Ltd. All rights reserved.

Measurements of rates of some reactions related to radiolytic effect on aqueous iodide solution

International Nuclear Information System (INIS)

Shiraishi, H.; Okuda, H.; Ishigure, K.

1986-01-01

A number of reactions takes place concurrently when aqueous iodide solution is subjected to radiation field. In order to help analyze this complicated radiation effect measurements of rate constants were undertaken for several important reactions. One of these concerns reduction of hypoiodous acid by hydrogen peroxide. For this reaction catalytic effect was found to be significant, and old rate data was revised. Measurements on reactions involving radicals were carried out by use of pulse radiolysis technique, which also include reexamination of results by previous workers. The reactions studied are (1) oxidation of iodide ion by hydroxyl radical (2) recombination reactions of atomic iodine and diiodide ion and (3) reduction of atomic and molecular iodine either by superoxide ion or by hydroperoxyl radical

Distributed order reaction-diffusion systems associated with Caputo derivatives

Science.gov (United States)

Saxena, R. K.; Mathai, A. M.; Haubold, H. J.

2014-08-01

This paper deals with the investigation of the solution of an unified fractional reaction-diffusion equation of distributed order associated with the Caputo derivatives as the time-derivative and Riesz-Feller fractional derivative as the space-derivative. The solution is derived by the application of the joint Laplace and Fourier transforms in compact and closed form in terms of the H-function. The results derived are of general nature and include the results investigated earlier by other authors, notably by Mainardi et al. ["The fundamental solution of the space-time fractional diffusion equation," Fractional Calculus Appl. Anal. 4, 153-202 (2001); Mainardi et al. "Fox H-functions in fractional diffusion," J. Comput. Appl. Math. 178, 321-331 (2005)] for the fundamental solution of the space-time fractional equation, including Haubold et al. ["Solutions of reaction-diffusion equations in terms of the H-function," Bull. Astron. Soc. India 35, 681-689 (2007)] and Saxena et al. ["Fractional reaction-diffusion equations," Astrophys. Space Sci. 305, 289-296 (2006a)] for fractional reaction-diffusion equations. The advantage of using the Riesz-Feller derivative lies in the fact that the solution of the fractional reaction-diffusion equation, containing this derivative, includes the fundamental solution for space-time fractional diffusion, which itself is a generalization of fractional diffusion, space-time fraction diffusion, and time-fractional diffusion, see Schneider and Wyss ["Fractional diffusion and wave equations," J. Math. Phys. 30, 134-144 (1989)]. These specialized types of diffusion can be interpreted as spatial probability density functions evolving in time and are expressible in terms of the H-function in compact forms. The convergence conditions for the double series occurring in the solutions are investigated. It is interesting to observe that the double series comes out to be a special case of the Srivastava-Daoust hypergeometric function of two variables

Study of reaction sequences for formation of solid solution: 0,48 ...

African Journals Online (AJOL)

... of a low concentration of ions forming the perovskite structure PZT (Pb2+, Zr4+ et Ti4+) by other ions (Zn2+, Cr3+ et Sb+5 in our study) alters the reaction sequences training of the solid solution PZT and especially the formation of intermediate phase. Keywords: PZT / Calcination / TGA / DTA / RX / Piezoelectric Ceramics ...

Bifurcation of positive solutions to scalar reaction-diffusion equations with nonlinear boundary condition

Science.gov (United States)

Liu, Ping; Shi, Junping

2018-01-01

The bifurcation of non-trivial steady state solutions of a scalar reaction-diffusion equation with nonlinear boundary conditions is considered using several new abstract bifurcation theorems. The existence and stability of positive steady state solutions are proved using a unified approach. The general results are applied to a Laplace equation with nonlinear boundary condition and bistable nonlinearity, and an elliptic equation with superlinear nonlinearity and sublinear boundary conditions.

Autonomous Vehicles: Disengagements, Accidents and Reaction Times.

Directory of Open Access Journals (Sweden)

Vinayak V Dixit

Full Text Available Autonomous vehicles are being viewed with scepticism in their ability to improve safety and the driving experience. A critical issue with automated driving at this stage of its development is that it is not yet reliable and safe. When automated driving fails, or is limited, the autonomous mode disengages and the drivers are expected to resume manual driving. For this transition to occur safely, it is imperative that drivers react in an appropriate and timely manner. Recent data released from the California trials provide compelling insights into the current factors influencing disengagements of autonomous mode. Here we show that the number of accidents observed has a significantly high correlation with the autonomous miles travelled. The reaction times to take control of the vehicle in the event of a disengagement was found to have a stable distribution across different companies at 0.83 seconds on average. However, there were differences observed in reaction times based on the type of disengagements, type of roadway and autonomous miles travelled. Lack of trust caused by the exposure to automated disengagements was found to increase the likelihood to take control of the vehicle manually. Further, with increased vehicle miles travelled the reaction times were found to increase, which suggests an increased level of trust with more vehicle miles travelled. We believe that this research would provide insurers, planners, traffic management officials and engineers fundamental insights into trust and reaction times that would help them design and engineer their systems.

Autonomous Vehicles: Disengagements, Accidents and Reaction Times.

Science.gov (United States)

Dixit, Vinayak V; Chand, Sai; Nair, Divya J

2016-01-01

Autonomous vehicles are being viewed with scepticism in their ability to improve safety and the driving experience. A critical issue with automated driving at this stage of its development is that it is not yet reliable and safe. When automated driving fails, or is limited, the autonomous mode disengages and the drivers are expected to resume manual driving. For this transition to occur safely, it is imperative that drivers react in an appropriate and timely manner. Recent data released from the California trials provide compelling insights into the current factors influencing disengagements of autonomous mode. Here we show that the number of accidents observed has a significantly high correlation with the autonomous miles travelled. The reaction times to take control of the vehicle in the event of a disengagement was found to have a stable distribution across different companies at 0.83 seconds on average. However, there were differences observed in reaction times based on the type of disengagements, type of roadway and autonomous miles travelled. Lack of trust caused by the exposure to automated disengagements was found to increase the likelihood to take control of the vehicle manually. Further, with increased vehicle miles travelled the reaction times were found to increase, which suggests an increased level of trust with more vehicle miles travelled. We believe that this research would provide insurers, planners, traffic management officials and engineers fundamental insights into trust and reaction times that would help them design and engineer their systems.

Autonomous Vehicles: Disengagements, Accidents and Reaction Times

Science.gov (United States)

Dixit, Vinayak V.; Chand, Sai; Nair, Divya J.

2016-01-01

Autonomous vehicles are being viewed with scepticism in their ability to improve safety and the driving experience. A critical issue with automated driving at this stage of its development is that it is not yet reliable and safe. When automated driving fails, or is limited, the autonomous mode disengages and the drivers are expected to resume manual driving. For this transition to occur safely, it is imperative that drivers react in an appropriate and timely manner. Recent data released from the California trials provide compelling insights into the current factors influencing disengagements of autonomous mode. Here we show that the number of accidents observed has a significantly high correlation with the autonomous miles travelled. The reaction times to take control of the vehicle in the event of a disengagement was found to have a stable distribution across different companies at 0.83 seconds on average. However, there were differences observed in reaction times based on the type of disengagements, type of roadway and autonomous miles travelled. Lack of trust caused by the exposure to automated disengagements was found to increase the likelihood to take control of the vehicle manually. Further, with increased vehicle miles travelled the reaction times were found to increase, which suggests an increased level of trust with more vehicle miles travelled. We believe that this research would provide insurers, planners, traffic management officials and engineers fundamental insights into trust and reaction times that would help them design and engineer their systems. PMID:27997566

End-Member Formulation of Solid Solutions and Reactive Transport

Energy Technology Data Exchange (ETDEWEB)

Lichtner, Peter C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-09-01

A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

Kinetics of reactions of aquacobalamin with aspartic and glutamic acids and their amides in water solutions

Science.gov (United States)

Bui, T. T. T.; Sal'nikov, D. S.; Dereven'kov, I. A.; Makarov, S. V.

2017-04-01

The kinetics of aquacobalamin reaction with aspartic and glutamic acids, and with their amides in water solutions, is studied via spectrophotometry. The kinetic and activation parameters of the process are determined. It is shown that the reaction product is cobalamin-amino acid complex. The data are compared to results on the reaction between aquacobalamin and primary amines.

No Evidence of Reaction Time Slowing in Autism Spectrum Disorder

Science.gov (United States)

Ferraro, F. Richard

2016-01-01

A total of 32 studies comprising 238 simple reaction time and choice reaction time conditions were examined in individuals with autism spectrum disorder (n?=?964) and controls (n?=?1032). A Brinley plot/multiple regression analysis was performed on mean reaction times, regressing autism spectrum disorder performance onto the control performance as…

Deposition and characteristics of PbS thin films by an in-situ solution chemical reaction process

Energy Technology Data Exchange (ETDEWEB)

Ji, Junna; Ji, Huiming; Wang, Jian; Zheng, Xuerong; Lai, Junyun; Liu, Weiyan; Li, Tongfei [School of Materials Science and Engineering, Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education, Tianjin University, Tianjin 300072 (China); Ma, Yuanliang; Li, Haiqin; Zhao, Suqin [College of Physics and Electronic Information Engineering, Qinghai University for Nationalities, Xining 810007 (China); Jin, Zhengguo, E-mail: zhgjin@tju.edu.cn [School of Materials Science and Engineering, Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education, Tianjin University, Tianjin 300072 (China)

2015-09-01

Preferential oriented and uniform PbS thin films were deposited by a room temperature in-situ solution chemical reaction process, in which the lead nitrate as precursor in a form of thin solid films from lead precursor solution was used to react with ammonium sulfide ethanol solution. Influence of 1-butanol addition in the lead precursor solution, Pb:S molar ratios in the separate cationic and anionic solutions, deposition cycle numbers and annealing treatment in Ar atmosphere on structure, morphology, chemical composition and optical absorption properties of the deposited PbS films were investigated based on X-ray diffraction, field emission scanning electron microscopy, energy dispersive spectrometer, atomic force microscopy, selected area electron diffraction, UV–vis, near infrared ray and fourier transform infrared spectroscopy measurements. The results showed that the deposited PbS thin films had a cubic structure and highly preferred orientation along with the plane (100). The deposition rate of single-layer was stable, about 30 nm in thickness per deposition cycle. - Highlights: • Time-efficiency synthetic method for the preparation of lead sulfide (PbS) films • Effect of 1-butanol addition into cationic precursor solution is discussed. • Growth rate of the PbS films is stable at about 30 nm per cycle.

TR-ESR Investigation on Reaction of Vitamin C with Excited Triplet of 9,10-phenanthrenequinone in Reversed Micelle Solutions

Science.gov (United States)

Xu, Xin-sheng; Shi, Lei; Liu, Yi; Ji, Xue-han; Cui, Zhi-feng

2011-04-01

Time-resolved electron spin resonance has been used to study quenching reactions between the antioxidant Vitamin C (VC) and the triplet excited states of 9,10-phenanthrenequinone (PAQ) in ethylene glycol-water (EG-H2O) homogeneous and inhomogeneous reversed micelle solutions. Reversed micelle solutions were used to be the models of physiological environment of biological cell and tissue. In PAQ/EG-H2O homogeneous solution, the excited triplet of PAQ (3PAQ*) abstracts hydrogen atom from solvent EG. In PAQ/VC/EG-H2O solution, 3PAQ* abstracts hydrogen atom not only from solvent EG but also from VC. The quenching rate constant of 3PAQ* by VC is close to the diffusion-controlled value of 1.41 × 108 L/(mol ·s). In hexadecyltrimethylammonium bromide (CTAB)/EG-H2O and aerosol OT (AOT)/EG-H2O reversed micelle solutions, 3PAQ* and VC react around the water-oil interface of the reversed micelle. Exit of 3PAQ* from the lipid phase slows down the quenching reaction. For Triton X-100 (TX-100)/EG-H2O reversed micelle solution, PAQ and VC coexist inside the hydrophilic polyethylene glycol core, and the quenching rate constant of 3PAQ* by VC is larger than those in AOT/EG-H2O and CTAB/EG-H2O reversed micelle solutions, even a little larger than that in EG-H2O homogeneous solution. The strong emissive chemically induced dynamic electron polarization of As.- resulted from the effective TM spin polarization transfer in hydrogen abstraction of 3PAQ* from VC.

Conductometric Studies Of Kinetics Of Ionic Reaction Between Ag And Cl- In Aqueous Solution

Directory of Open Access Journals (Sweden)

Md. Rezwan Miah

2017-01-01

Full Text Available In the present report conductometric studies on the kinetic of formation of AgCl by ionic reaction between Ag and Clamp61485 in aqueous solution have been presented. The order of the mentioned reaction was determined by a new conductometric approach using half-life method. The obtained result showed that the reaction follows a second-order kinetics. The second-order rate constant of the reaction was obtained conductometrically using different initial concentrations of the reactants in the range of 2.5-5.0 mM. The average value of the rate constant was obtained as 20.648 L molamp614851 samp614851 at 25 amp61616C.

High-Pressure-High-Temperature Processing Reduces Maillard Reaction and Viscosity in Whey Protein-Sugar Solutions

NARCIS (Netherlands)

Avila Ruiz, Geraldine; Xi, Bingyan; Minor, Marcel; Sala, Guido; Boekel, van Tiny; Fogliano, Vincenzo; Stieger, Markus

2016-01-01

The aim of the study was to determine the influence of pressure in high-pressure-high-temperature (HPHT) processing on Maillard reactions and protein aggregation of whey protein-sugar solutions. Solutions of whey protein isolate containing either glucose or trehalose at pH 6, 7, and 9 were

The influence of the "cage effect" on the mechanism of reversible bimolecular multistage chemical reactions in solutions.

Science.gov (United States)

Doktorov, Alexander B

2015-08-21

Manifestations of the "cage effect" at the encounters of reactants are theoretically treated by the example of multistage reactions in liquid solutions including bimolecular exchange reactions as elementary stages. It is shown that consistent consideration of quasi-stationary kinetics of multistage reactions (possible only in the framework of the encounter theory) for reactions proceeding near reactants contact can be made on the basis of the concepts of a "cage complex." Though mathematically such a consideration is more complicated, it is more clear from the standpoint of chemical notions. It is established that the presence of the "cage effect" leads to some important effects not inherent in reactions in gases or those in solutions proceeding in the kinetic regime, such as the appearance of new transition channels of reactant transformation that cannot be caused by elementary event of chemical conversion for the given mechanism of reaction. This results in that, for example, rate constant values of multistage reaction defined by standard kinetic equations of formal chemical kinetics from experimentally measured kinetics can differ essentially from real values of these constants.

Numerical solution of the unsteady diffusion-convection-reaction equation based on improved spectral Galerkin method

Science.gov (United States)

Zhong, Jiaqi; Zeng, Cheng; Yuan, Yupeng; Zhang, Yuzhe; Zhang, Ye

2018-04-01

The aim of this paper is to present an explicit numerical algorithm based on improved spectral Galerkin method for solving the unsteady diffusion-convection-reaction equation. The principal characteristics of this approach give the explicit eigenvalues and eigenvectors based on the time-space separation method and boundary condition analysis. With the help of Fourier series and Galerkin truncation, we can obtain the finite-dimensional ordinary differential equations which facilitate the system analysis and controller design. By comparing with the finite element method, the numerical solutions are demonstrated via two examples. It is shown that the proposed method is effective.

Phenol hydroxylation on Al-Fe modified-bentonite: Effect of Fe loading, temperature and reaction time

Science.gov (United States)

Widi, R. K.; Budhyantoro, A.; Christianto, A.

2017-11-01

The present work reflects the study of the phenol hydroxylation reactions to synthesize hydroquinone and catechol on Al-Fe modified-bentonite. This study started with synthesizes the catalyst material based on the modified bentonite. Natural bentonite from Pacitan, Indonesia was intercalated with Cetyl-TetramethylammoniumBromida (CTMA-Br) followed by pillarization using Alumina. The pillared bentonite was then impregnated with Fe solution (0.01 M, 0.05 M, and 0.1 M). The solid material obtained was calcined at 723 K for 4 hours. All the materials were characterized using BET N2 adsorption. Their catalytic activity and selectivity were studied for phenol hydroxylation using H2O2 (30%). The reaction conditions of this reaction were as follows: ratio of phenol/H2O2 = 1:1 (molar ratio), concentration of phenol = 1 M and ratio of catalyst/phenol was 1:10. Reaction temperatures were varied at 333, 343 and 353 K. The reaction time was also varied at 3, 4 and 5 hours. The result shows that the materials have potential catalyst activity.

Retro-Diels-Alder reaction in aqueous solution : Toward a better understanding of organic reactivity in water

NARCIS (Netherlands)

Wijnen, J.W.; Engberts, Jan B.F.N.

1997-01-01

The retro-Diels-Alder (RDA) reaction of anthracenedione 1a proceeds considerably faster in aqueous solutions than in organic solvents. Addition of organic solvents to water retards the reaction, whereas glucose induces a modest acceleration. SDS micelles induce a considerable retardation, but even

On the time behaviour of the concentration of pyrazinium radical cations in the early stage of the Maillard reaction

Science.gov (United States)

Stoesser, Reinhard; Klein, Jeannette; Peschke, Simone; Zehl, Andrea; Cämmerer, Bettina; Kroh, Lothar W.

2007-08-01

During the early stage of the Maillard reaction pyrazinium radical cations were detected by ESR within the reaction system D-glucose/glycine. The spectra were characterized by completely resolved hyperfine structure. The partial pressure of oxygen and the radical concentrations were measured directly in the reaction mixture by ESR using solutions of the spin probe TEMPOL and of DPPH, respectively. There are quantitative and qualitative relations of the actual concentration of the radical ions to the partial pressure of oxygen, the temperature-time regime and the mechanical mixing of the reaction system. These macroscopic parameters significantly affect both the induction period and the velocity of the time-dependent formation of free radicals. From in situ variations of p(O 2) and p(Ar) including the connected mixing effects caused by the passing the gases through the reaction mixture, steric and chemical effects of the stabilization of the radical ions were established. The determination of suitable and relevant conditions for stabilization and subsequent radical reactions contributes to the elucidation of the macroscopically known antioxidant activity of Maillard products.

Traveling Wave Solutions of Reaction-Diffusion Equations Arising in Atherosclerosis Models

Directory of Open Access Journals (Sweden)

Narcisa Apreutesei

2014-05-01

Full Text Available In this short review article, two atherosclerosis models are presented, one as a scalar equation and the other one as a system of two equations. They are given in terms of reaction-diffusion equations in an infinite strip with nonlinear boundary conditions. The existence of traveling wave solutions is studied for these models. The monostable and bistable cases are introduced and analyzed.

In situ composition measurements of Bunsen reaction solution by radiation probes

Energy Technology Data Exchange (ETDEWEB)

Kubo, Shinji; Nagaya, Yasunobu [Japan Atomic Energy Agency (Japan)

2010-07-01

Measuring equipments are integral to chemical process controls. A stable hydrogen production by the Iodine-Sulfur thermochemical water-splitting process is relatively difficult because of lack of existing in situ composition measurement techniques for multiple components and corrosive solution. Composition regulations of Bunsen reaction solution is particularly important, since a closed cycle system provided with this process causes that the many streams with different composition return to this section. Accordingly Bunsen solution becomes changeable composition. Radiation probes have a potential for applications to determine this multiple component solution while the non-contact approach avoids the corrosive issues. Moreover the probes have features of the promptness, contact-less and sequential use. Laboratory scale experiments to evaluate these possibilities of the measurement were conducted with use of simulated Bunsen solution, HIx solution and H{sub 2}SO{sub 4} solution, containing HI, I2, H{sub 2}SO{sub 4} and H{sub 2}O and sealed radiation sources. Radiations were counted, which were interacted with the solutions in various compositions around room temperature contained in vessels. For HIx solution, the obtained counting rates were correlated with hydrogen volume concentrations; moreover, the application of the Monte Carlo method suggests possibilities that the detector responses for HIx solution by the radiation probes are predictable. For H{sub 2}SO{sub 4} solution, iodine atoms had significant influences on the relationship between output values of two gamma-ray density meters, cesium source as higher energy and barium source as lower energy. This results suggest that the neutron ray probe, the gamma-ray probes of both lower energy and higher energy have possibilities to determine the composition of Bunsen solution of HIx and H{sub 2}SO{sub 4} solutions. (orig.)

Ambient Mechanochemical Solid-State Reactions of Carbon Nanotubes and Their Reactions via Covalent Coordinate Bond in Solution

Science.gov (United States)

Kabbani, Mohamad A.

In its first part, this thesis deals with ambient mechanochemical solid-state reactions of differently functionalized multiple walled carbon nanotubes (MWCNTs) while in its second part it investigates the cross-linking reactions of CNTs in solution via covalent coordinate bonds with transitions metals and carboxylate groups decorating their surfaces. In the first part a series of mechanochemical reactions involving different reactive functionalities on the CNTs such as COOH/OH, COOH/NH2 and COCl/OH were performed. The solid-state unzipping of CNTs leading to graphene formation was confirmed using spectroscopic, thermal and electron microscopy techniques. The non-grapheme products were established using in-situ quadruple mass spectroscopy. The experimental results were confirmed by theoretical simulation calculations using the 'hot spots' protocol. The kinetics of the reaction between MWCNT-COOH and MWCNT-OH was monitored using variable temperature Raman spectroscopy. The low activation energy was discussed in terms of hydrogen bond mediated proton transfer mechanism. The second part involves the reaction of MWCNTII COOH with Zn (II) and Cu (II) to form CNT metal-organic frame (MOFs) products that were tested for their effective use as counter-electrodes in dyes sensitized solar cells (DSSC). The thesis concludes by the study of the room temperature reaction between the functionalized graphenes, GOH and G'-COOH followed by the application of compressive loads. The 3D solid graphene pellet product ( 0.6gm/cc) is conductive and reflective with a 35MPa ultimate strength as compared to 10MPa strength of graphite electrode ( 2.2gm/cc).

Initiation of nuclear reactions under laser irradiation of Au nanoparticles in the aqueous solution of Uranium salt

Energy Technology Data Exchange (ETDEWEB)

Simakin, A.V.; Shafeev, G.A. [Wave Research Center of A.M. Prokhorov General Physics Institute of the Russian Academy of Sciences, Moscow (Russian Federation)

2010-10-15

Laser exposure of a suspension of either gold or palladium nanoparticles in aqueous solutions of UO{sub 2}Cl{sub 2} of natural isotope abundance was experimentally studied. Picosecond Nd:YAG lasers at peak power of 10{sup 11}-10{sup 13} W/cm{sup 2} at the wavelength of 1.06-0.355 {mu}m were used as well as a visible-range Cu vapor laser at a peak power of 10{sup 10} W/cm{sup 2}. The composition of colloidal solutions before and after laser exposure was analyzed using atomic absorption and gamma spectroscopy in the 0.06-1 MeV range of photon energy. Real-time gamma spectroscopy was used to characterize the kinetics of nuclear reactions during laser exposure. It was found that laser exposure initiated nuclear reactions involving both {sup 238}U and {sup 235}U nuclei via different channels in H{sub 2}O and D{sub 2}O. The influence of saturation of both the liquid and nanoparticles by gaseous H{sub 2} and D{sub 2} on the kinetics of nuclear transformations was found. Possible mechanisms of observed processes are discussed. (orig.)

Existence of weak solutions to a nonlinear reaction-diffusion system with singular sources

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Ida de Bonis

2017-09-01

Full Text Available We discuss the existence of a class of weak solutions to a nonlinear parabolic system of reaction-diffusion type endowed with singular production terms by reaction. The singularity is due to a potential occurrence of quenching localized to the domain boundary. The kind of quenching we have in mind is due to a twofold contribution: (i the choice of boundary conditions, modeling in our case the contact with an infinite reservoir filled with ready-to-react chemicals and (ii the use of a particular nonlinear, non-Lipschitz structure of the reaction kinetics. Our working techniques use fine energy estimates for approximating non-singular problems and uniform control on the set where singularities are localizing.

Comparison of Sprint Reaction and Visual Reaction Times of Athletes in Different Branches

Science.gov (United States)

Akyüz, Murat; Uzaldi, Basar Basri; Akyüz, Öznur; Dogru, Yeliz

2017-01-01

The aims of this study are to analyse sprint reaction and visual reaction times of female athletes of different branches competing in Professional leagues and to show the differences between them. 42 voluntary female athletes from various branches of Professional leagues of Istanbul (volleyball, basketball, handball) were included in the…

Comparing of the Reaction Time in Substance-Dependent and Non-Dependent Individuals

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Mohammad Narimani

2012-11-01

Full Text Available Aim: The aim of this study was to compare the simple, selective, and discrimination reaction time in substance-dependent and non-dependent individuals. Method: In this causal-comparative study, the population included of 425 males (opium and crystal dependents who were referred to addiction rehabilitation centers in Tabriz. By random sampling, 16 opium dependents, 16 crystal dependents, and 16 non-dependent individuals with no history of dependency as the compare group were selected. All groups peered in age, and marital status. For gathering data, “Addicts Admit Questionnaire” and laboratory device known as the "Reaction Time Assay" have been used. Results: The results of this study showed that there are significant differences among all groups in simple reaction time, choice reaction time and reaction time to auditory stimuli, but no significant difference in discrimination reaction time and reaction time to visual stimulus observed. Conclusion: The reaction time of substance-dependent groups is slower than non-dependent groups.

Geochemical and numerical modelling of interactions between solid solutions and an aqueous solution. Extension of a reactive transport computer code called Archimede and application to reservoirs diagenesis; Modelisation geochimique et numerique des interactions entre des solutions solides et une solution aqueuse: extension du logiciel de reaction-transport archimede et application a la diagenese des reservoirs

Energy Technology Data Exchange (ETDEWEB)

Nourtier-Mazauric, E.

2003-03-15

This thesis presents a thermodynamic and kinetic model of interactions between a fluid and ideal solid solutions represented by several end-members. The reaction between a solid solution and the aqueous solution results from the competition between the stoichiometric dissolution of the initial solid solution and the co-precipitation of the least soluble solid solution in the fluid at considered time. This model was implemented in ARCHIMEDE, a computer code of reactive transport in porous media, then applied to various examples. In the case of binary solid solutions, a graphical method allowed to determine the compositions of the precipitating solid solutions, with the aid of the end-member chemical potentials. The obtained program could be used to notably model the diagenesis of clayey or carbonated oil reservoirs, or the ground pollutant dispersion. (author)

Simulating the reactions of CO2 in aqueous monoethanolamine solution by reaction ensemble Monte Carlo using the continuous fractional component method

NARCIS (Netherlands)

Balaji, S.P.; Gangarapu, S.; Ramdin, M.; Torres-Knoop, A.; Zuilhof, H.; Goetheer, E.L.V.; Dubbeldam, D.; Vlugt, T.J.H.

2015-01-01

Molecular simulations were used to compute the equilibrium concentrations of the different species in CO2/monoethanolamine solutions for different CO2 loadings. Simulations were performed in the Reaction Ensemble using the continuous fractional component Monte Carlo method at temperatures of 293,

Real-time monitoring of viscosity changes triggered by chemical reactions using a high-speed imaging method

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Wooseok Jung

2015-09-01

Full Text Available We present a method to monitor in real time peptide self-assembly or polymerization events. The temperature controlled modification of a previously reported splash test setup using high speed imaging enables to observe and measure rheological changes in liquid samples and can, in turn, monitor a peptide self-assembly or polymerization reaction accompanied with specific changes in solution viscosity. A series of 2 mm glass beads were dropped into an Fmoc-L3-OMe (methylated Fluorenylmethyloxycarbonyl-trileucine solution mixed with Alcalase 2.4 L (EC 3.4.21.62 or first dipped in Tetramethylethylenediamine (TEMED, a catalyst for acrylamide polymerization, then dropped into acrylamide. The resulting splashes were observed using a high speed camera. The results demonstrate that the viscosity changes of the peptide sample during the peptide self-assembly or acrylamide polymerization affect the specific shape and evolution of the splashing event. Typically, the increase in viscosity while the reaction occurs decreased the size of the splash and the amount of time for the splash to reach maximum extension from the moment for the beads to impact the sample. The ability to observe rheological changes of sample state presents the opportunity to monitor the real time dynamics of peptide self-assembly or cross-polymerization. Keywords: High-speed imaging, Self-assembly, Viscosity sensor

Kinetics of the reaction between plutonium (4) and neptunium (4) in nitric acid solution

Energy Technology Data Exchange (ETDEWEB)

Koltunov, V S; Zhuravleva, G I; Marchenko, V I

1976-01-01

The kinetics of the oxidation of neptunium(IV) to neptunium(V) by tetravalent plutonium ions in solutions of HNO/sub 3/ + NaNO/sub 3/ at constant (..mu.. = 2) and variable (..mu.. = 0.7-2.0) ionic strengths of the solution was investigated by a spectrophotometric method. It was established that in the range of concentrations (Np(IV)) = (4.25-10.6) x 10/sup 13/; (Pu(IV)) = (2.6-3.9)x10/sup -3/ M; (H/sup +/) 0.37-1.91 M, a first order is observed with respect to the reagents, while the order of the reaction with respect to H/sup +/ ions is equal to -3. The average value of the true rate constant of the reaction is k = 27.9+-1.3 M/sup 2/xmin/sup -1/ at ..mu..=2 and 39/sup 0/C. It was shown that with increasing analytical concentration of HNO/sub 3/ and NO/sub 3//sup -/ ions (in a mixture of HNO/sub 3/ +HClO/sub 4/), the value of K decreases. On the basis of an invetigation of the dependence of the reaction rate on the temperature in the interval 31-44.8/sup 0/, we calculated the values of the energy (E = 34.6 kcal/mole), enthalpy (..delta..H* = 34 kcal/mole), free energy (..delta..F* = 19.6 kcal/mole, entropy (..delta..S* = 49 entropy units) of activation of the reaction and the formal ionic entropy of the activated complex (PuOOHNp/sup 5 +/)*, S* = -87 entropy units. A reaction mechanism including an interaction of hydrolyzed neptunium and plutonium ions as the rate-determining step was proposed and discusses. The results obtained are compared with data for this reaction in perchloric acid wolution and for other similar redox reactions.

The influence of the “cage effect” on the mechanism of reversible bimolecular multistage chemical reactions in solutions

International Nuclear Information System (INIS)

Doktorov, Alexander B.

2015-01-01

Manifestations of the “cage effect” at the encounters of reactants are theoretically treated by the example of multistage reactions in liquid solutions including bimolecular exchange reactions as elementary stages. It is shown that consistent consideration of quasi-stationary kinetics of multistage reactions (possible only in the framework of the encounter theory) for reactions proceeding near reactants contact can be made on the basis of the concepts of a “cage complex.” Though mathematically such a consideration is more complicated, it is more clear from the standpoint of chemical notions. It is established that the presence of the “cage effect” leads to some important effects not inherent in reactions in gases or those in solutions proceeding in the kinetic regime, such as the appearance of new transition channels of reactant transformation that cannot be caused by elementary event of chemical conversion for the given mechanism of reaction. This results in that, for example, rate constant values of multistage reaction defined by standard kinetic equations of formal chemical kinetics from experimentally measured kinetics can differ essentially from real values of these constants

The influence of the “cage effect” on the mechanism of reversible bimolecular multistage chemical reactions in solutions

Energy Technology Data Exchange (ETDEWEB)

Doktorov, Alexander B., E-mail: doktorov@kinetics.nsc.ru [Voevodsky Institute of Chemical Kinetics & Combustion, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia and Novosibirsk State University, Novosibirsk 630090 (Russian Federation)

2015-08-21

Manifestations of the “cage effect” at the encounters of reactants are theoretically treated by the example of multistage reactions in liquid solutions including bimolecular exchange reactions as elementary stages. It is shown that consistent consideration of quasi-stationary kinetics of multistage reactions (possible only in the framework of the encounter theory) for reactions proceeding near reactants contact can be made on the basis of the concepts of a “cage complex.” Though mathematically such a consideration is more complicated, it is more clear from the standpoint of chemical notions. It is established that the presence of the “cage effect” leads to some important effects not inherent in reactions in gases or those in solutions proceeding in the kinetic regime, such as the appearance of new transition channels of reactant transformation that cannot be caused by elementary event of chemical conversion for the given mechanism of reaction. This results in that, for example, rate constant values of multistage reaction defined by standard kinetic equations of formal chemical kinetics from experimentally measured kinetics can differ essentially from real values of these constants.

Rate Constants for Reactions of Radiation-Produced Transients in Aqueous Solutions of Actinides

International Nuclear Information System (INIS)

Gordon, S.; Sullivan, J.C.; Ross, A.B.

1986-01-01

Rate constants have been critically compiled for reactions of ions of the actinides Am, Cf, Cm, Np, Pu, Th, and U, as well as the element Tc, in different oxidation states with various chemical species in aqueous solution. The reactants include products of the radiolysis of water (hydrated electrons, hydrogen atoms, hydroxyl radicals, hydrogen peroxide) and transient species derived from other solutes (e.g., carbonate radical). The data are useful in the estimation of migration properties of actinides, which are relevant to waste management studies

Reaction paths based on mean first-passage times

International Nuclear Information System (INIS)

Park, Sanghyun; Sener, Melih K.; Lu Deyu; Schulten, Klaus

2003-01-01

Finding representative reaction pathways is important for understanding the mechanism of molecular processes. We propose a new approach for constructing reaction paths based on mean first-passage times. This approach incorporates information about all possible reaction events as well as the effect of temperature. As an application of this method, we study representative pathways of excitation migration in a photosynthetic light-harvesting complex, photosystem I. The paths thus computed provide a complete, yet distilled, representation of the kinetic flow of excitation toward the reaction center, thereby succinctly characterizing the function of the system

Study of the Reaction 2-(p-Nitrophenylethyl Bromide + OH− in Dimeric Micellar Solutions

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María Luisa Moyá

2011-11-01

Full Text Available The dehydrobromination reaction 2-(p-nitrophenylethyl bromide + OH− was investigated in several alkanediyl-a-w-bis(dodecyldimethylammonium bromide, 12-s-12,2Br− (with s = 2, 3, 4, 5, 6, 8, 10, 12 micellar solutions, in the presence of NaOH 5 × 10−3 M. The kinetic data were quantitatively rationalized within the whole surfactant concentration range by using an equation based on the pseudophase ion-exchange model and taking the variations in the micellar ionization degree caused by the morphological transitions into account. The agreement between the theoretical and the experimental data was good in all the dimeric micellar media studied, except for the 12-2-12,2Br− micellar solutions. In this case, the strong tendency to micellar growth shown by the 12-2-12,2Br− micelles could be responsible for the lack of accordance. Results showed that the dimeric micelles accelerate the reaction more than two orders of magnitude as compared to water.

Bunsen Reaction using a HIx Solution (HI-I2-H2O with Countercurrent Flow for Sulfur-Iodine Hydrogen Production Process

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Kim Hyo-Sub

2016-01-01

Full Text Available In the sulfur-iodine hydrogen production process, the Bunsen reaction is a crucial section because of the linkage with the H2SO4 and HI decomposition sections. The HIx solution (HI-I2-H2O mixture was fed to the Bunsen reaction section as a reactant from the HI decomposition section. In this study, the Bunsen reaction using the HIx solution with countercurrent flow was performed. The production rate of HIx phase solution increased while that of H2SO4 phase solution was maintained constant when increasing the flow rate of HIx solution. As the SO2 flow rate increased, the production rates of H2SO4 and HIx phase solutions increased. The amount of resultant H2SO4 phase was very lower than that of resultant HIx phase under the conditions examined in this study.

Development of Capillary Loop Convective Polymerase Chain Reaction Platform with Real-Time Fluorescence Detection

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Wen-Pin Chou

2017-02-01

Full Text Available Polymerase chain reaction (PCR has been one of the principal techniques of molecular biology and diagnosis for decades. Conventional PCR platforms, which work by rapidly heating and cooling the whole vessel, need complicated hardware designs, and cause energy waste and high cost. On the other hand, partial heating on the various locations of vessels to induce convective solution flows by buoyancy have been used for DNA amplification in recent years. In this research, we develop a new convective PCR platform, capillary loop convective polymerase chain reaction (clcPCR, which can generate one direction flow and make the PCR reaction more stable. The U-shaped loop capillaries with 1.6 mm inner diameter are designed as PCR reagent containers. The clcPCR platform utilizes one isothermal heater for heating the bottom of the loop capillary and a CCD device for detecting real-time amplifying fluorescence signals. The stable flow was generated in the U-shaped container and the amplification process could be finished in 25 min. Our experiments with different initial concentrations of DNA templates demonstrate that clcPCR can be applied for precise quantification. Multiple sample testing and real-time quantification will be achieved in future studies.

Stability and Hopf Bifurcation of a Reaction-Diffusion Neutral Neuron System with Time Delay

Science.gov (United States)

Dong, Tao; Xia, Linmao

2017-12-01

In this paper, a type of reaction-diffusion neutral neuron system with time delay under homogeneous Neumann boundary conditions is considered. By constructing a basis of phase space based on the eigenvectors of the corresponding Laplace operator, the characteristic equation of this system is obtained. Then, by selecting time delay and self-feedback strength as the bifurcating parameters respectively, the dynamic behaviors including local stability and Hopf bifurcation near the zero equilibrium point are investigated when the time delay and self-feedback strength vary. Furthermore, the direction of the Hopf bifurcation and the stability of bifurcating periodic solutions are obtained by using the normal form and the center manifold theorem for the corresponding partial differential equation. Finally, two simulation examples are given to verify the theory.

Semianalytic Solution of Space-Time Fractional Diffusion Equation

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A. Elsaid

2016-01-01

Full Text Available We study the space-time fractional diffusion equation with spatial Riesz-Feller fractional derivative and Caputo fractional time derivative. The continuation of the solution of this fractional equation to the solution of the corresponding integer order equation is proved. The series solution of this problem is obtained via the optimal homotopy analysis method (OHAM. Numerical simulations are presented to validate the method and to show the effect of changing the fractional derivative parameters on the solution behavior.

The optimization of soybean oil hydrolysis reaction research

International Nuclear Information System (INIS)

Hasnisa Hashim; Jumat Salimon

2008-01-01

The hydrolysis reaction of soybean oil was optimized. The concentration effect of ethanolic alkaline solution (KOH and NaOH) to the oil acidity was studied. The alkaline concentrations, reaction time and temperature factors was investigated during the optimization of the hydrolysis or saponification reaction. KOH solution of 1 M showed a good saponification activity which resulted oil acid value of 226.8 mg/ g compared to NaOH solution with acid value of 225.4 mg/ g for the same reaction. The optimum saponification reaction of soybean oil occurred at 60 degree Celsius in 30 minutes by using ethanolic KOH 1 M with acid value of 229.6 mg/ g. Composition of free fatty acid before and after hydrolysis were determined by using gas chromatography. (author)

Reaction time in relation to duration of heroin abuse

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Martinović-Mitrović Slađana

2011-01-01

Full Text Available Introduction. Consequences of heroin abuse include organic damage of cerebral structures. The level of impairments is in a direct and positive relation with the length of heroin abuse. Objective. The aim of this research was the evaluation of the reaction time with heroin addicts with different length of substance abuse. Methods. Research method: 90 examinees were divided into three groups with relation to the length of heroin abuse. Data collection included a questionnaire referring to socio-demographic and addictive characteristics. A specially designed programme was used for the evaluation of reaction time to audio/ visual signal. Results. In relation to the reaction time as overall model, the difference between examinees with different length of heroin abuse can be found on the marginal level of significance (F=1.69; df=12; p=0.07. In visual modality, with the increase of length of heroin abuse leads to a significant prolongation of simple (the first visual sign: F=3.29; df=2; p=0.04 and choice reaction time (the second visual sign: F=4.97; df=2; p=0.00; the third visual sign: F=3.08; df=2; p=0.05. Longer heroin consumption also leads to the prolongation of the simple (the first auditory task: F=3.41; df=2; p=0.04 and the complex auditory reaction time (the second auditory task: F=5.67; df=2; p=0.01; the third auditory task: F=6.42; df=2; p=0.00. Conclusion. Heroin abuse leads to the prolongation of both simple and choice reaction time in visual as well as auditory modality. The average daily dose of opiates was the most important predictor of the abovementioned cognitive dysfunction.

SIMULTANEOUS ABSORPTION AND DESORPTION WITH REVERSIBLE 1ST-ORDER CHEMICAL-REACTION - ANALYTICAL SOLUTION AND NEGATIVE ENHANCEMENT FACTORS

NARCIS (Netherlands)

WINKELMAN, JGM; BEENACKERS, AACM

The problem of ps absorption accompanied by a first-order reversible reaction, producing a volatile reaction product, is considered. A general analytical solution is developed for the film model, resulting in explicit relations for the concentration profiles in the film and for the mass transfer

Force, reaction time, and precision of Kung Fu strikes.

Science.gov (United States)

Neto, Osmar Pinto; Bolander, Richard; Pacheco, Marcos Tadeu Tavares; Bir, Cynthia

2009-08-01

The goal was to compare values of force, precision, and reaction time of several martial arts punches and palm strikes performed by advanced and intermediate Kung Fu practitioners, both men and women. 13 Kung Fu practitioners, 10 men and three women, participated. Only the men, three advanced and seven intermediate, were considered for comparisons between levels. Reaction time values were obtained using two high speed cameras that recorded each strike at 2500 Hz. Force of impact was measured by a load cell. For comparisons of groups, force data were normalized by participant's body mass and height. Precision of the strikes was determined by a high speed pressure sensor. The results show that palm strikes were stronger than punches. Women in the study presented, on average, lower values of reaction time and force but higher values of precision than men. Advanced participants presented higher forces than intermediate participants. Significant negative correlations between the values of force and precision and the values of force and reaction time were also found.

Verbal Processing Reaction Times in "Normal" and "Poor" Readers.

Science.gov (United States)

Culbertson, Jack; And Others

After it had been determined that reaction time (RT) was a sensitive measure of hemispheric dominance in a verbal task performed by normal adult readers, the reaction times of three groups of subjects (20 normal reading college students, 12 normal reading third graders and 11 poor reading grade school students) were compared. Ss were exposed to…

Rate constants for the reactions of free radicals with oxygen in solution

International Nuclear Information System (INIS)

Maillard, B.; Ingold, K.U.; Scaiano, J.C.

1983-01-01

The kinetics of the rections of several free radicals with oxygen have been examined in solution at 300 K using laser flash photolysis techniques. The reactions of resonance-stabilized radicals are only slightly slower than those of nonstabilized radicals: for example, for tert-butyl (in cyclohexane), 4.93 x 10 9 ; benzyl, 2.36 x 10 9 (in cyclohexane); cyclohexadienyl (in benzene), 1.64 x 10 9 M -1 s -1 . The reaction of butyl-tin (n-Bu 3 Sn.) radicals is unusually fast (7.5 x 10 9 M -1 s -1 ), a fact that has been tentatively attributed to a relaxation of spin selection rules due to heavy atom effects. 1 table

Mantra, music and reaction times: a study of its applied aspects

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Varun Malhotra, Rinku Garg, Usha Dhar, Neera Goel, Yogesh Tripathy, Iram Jaan, Sachit Goyal, Sumit Arora

2014-11-01

Full Text Available Aims &Objectives: The mechanism of the effects of music is still under scientific study and needs to be understood in a better way. We designed this study to see how music affects reaction time and concentration. The aim of our study was to study the effect of Gayatri mantra on reaction time. Material and Methods: 30 healthy subjects were selected for the study. Baseline record of Visual online Reaction time test was taken. Online visual reaction time was measured during listening to Gayatri Mantra was taken. Results:The reaction times decreased significantly p<0.001. Conclusion: Listening to music at work area reduces distractions, helps increase concentration and delays fatigue. It can be used to heal tinnitus, as an educational tool to develop children with special needs, Alzheimers disease, to improve motor skills in Parkinsonism and help alleviate pain after surgery.

Process for the reduction of competitive oxidant consuming reactions in the solution mining of a mineral

International Nuclear Information System (INIS)

Stover, D.E.

1980-01-01

The present invention relates to an improved method for the solution mining of a mineral from a subterranean formation. More specifically, the invention relates to an improved method which enhances significantly the recovery of the mineral from a subterranean formation via solution mining by reducing the oxidant consuming reactions which compete with the mineral for the oxidant injected therein

Travelling wave solutions for some time-delayed equations through factorizations

International Nuclear Information System (INIS)

Fahmy, E.S.

2008-01-01

In this work, we use factorization method to find explicit particular travelling wave solutions for the following important nonlinear second-order partial differential equations: The generalized time-delayed Burgers-Huxley, time-delayed convective Fishers, and the generalized time-delayed Burgers-Fisher. Using the particular solutions for these equations we find the general solutions, two-parameter solution, as special cases

Comparative study of the various methods of preparation of silicate solution and its effect on the geopolymerization reaction

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N. Essaidi

Full Text Available This paper is based on the characterization of synthesized geopolymer binders based on either powder or solution silicate, and the amount of water contained in synthesized binders is determined to evaluate their possibility to coat a brick. The structural evolution of the formed geopolymers was investigated using FTIR spectroscopy. The mechanical properties were evaluated using compression tests. The structural evolution ensured that the solutions prepared from silicate powder or liquid had different degrees of polymerization, which modified the polycondensation reaction of the mixture. Nevertheless, the use of aluminosilicate solutions based on powder or liquid display similar behavior in a polycondensation reaction. The obtained materials show good mechanical properties, and it is possible to deposit this binder on the brick depending on the water content. Keywords: Silicate powder, Bricks, Alkaline solution, Binders, Depolymerization, Metakaolin reactivity

Singlet versus Triplet Excited State Mediated Photoinduced Dehalogenation Reactions of Itraconazole in Acetonitrile and Aqueous Solutions.

Science.gov (United States)

Zhu, Ruixue; Li, Ming-de; Du, Lili; Phillips, David Lee

2017-04-06

Photoinduced dehalogenation of the antifungal drug itraconazole (ITR) in acetonitrile (ACN) and ACN/water mixed solutions was investigated using femtosecond and nanosecond time-resolved transient absorption (fs-TA and ns-TA, respectively) and nanosecond time-resolved resonance Raman spectroscopy (ns-TR 3 ) experiments. An excited resonance energy transfer is found to take place from the 4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-one part of the molecule to the 1,3-dichlorobenzene part of the molecule when ITR is excited by ultraviolet light. This photoexcitation is followed by a fast carbon-halogen bond cleavage that leads to the generation of radical intermediates via either triplet and/or singlet excited states. It is found that the singlet excited state-mediated carbon-halogen cleavage is the predominant dehalogenation process in ACN solvent, whereas a triplet state-mediated carbon-halogen cleavage prefers to occur in the ACN/water mixed solutions. The singlet-to-triplet energy gap is decreased in the ACN/water mixed solvents and this helps facilitate an intersystem crossing process, and thus, the carbon-halogen bond cleavage happens mostly through an excited triplet state in the aqueous solutions examined. The ns-TA and ns-TR 3 results also provide some evidence that radical intermediates are generated through a homolytic carbon-halogen bond cleavage via predominantly the singlet excited state pathway in ACN but via mainly the triplet state pathway in the aqueous solutions. In strong acidic solutions, protonation at the oxygen and/or nitrogen atoms of the 1,2,4-triazole-3-one group appears to hinder the dehalogenation reactions. This may offer the possibility that the phototoxicity of ITR due to the generation of aryl or halogen radicals can be reduced by protonation of certain moieties in suitably designed ITR halogen-containing derivatives.

Semi-analytical solutions of the Schnakenberg model of a reaction-diffusion cell with feedback

Science.gov (United States)

Al Noufaey, K. S.

2018-06-01

This paper considers the application of a semi-analytical method to the Schnakenberg model of a reaction-diffusion cell. The semi-analytical method is based on the Galerkin method which approximates the original governing partial differential equations as a system of ordinary differential equations. Steady-state curves, bifurcation diagrams and the region of parameter space in which Hopf bifurcations occur are presented for semi-analytical solutions and the numerical solution. The effect of feedback control, via altering various concentrations in the boundary reservoirs in response to concentrations in the cell centre, is examined. It is shown that increasing the magnitude of feedback leads to destabilization of the system, whereas decreasing this parameter to negative values of large magnitude stabilizes the system. The semi-analytical solutions agree well with numerical solutions of the governing equations.

Reaction time for processing visual stimulus in a computer-assisted rehabilitation environment.

Science.gov (United States)

Sanchez, Yerly; Pinzon, David; Zheng, Bin

2017-10-01

To examine the reaction time when human subjects process information presented in the visual channel under both a direct vision and a virtual rehabilitation environment when walking was performed. Visual stimulus included eight math problems displayed on the peripheral vision to seven healthy human subjects in a virtual rehabilitation training (computer-assisted rehabilitation environment (CAREN)) and a direct vision environment. Subjects were required to verbally report the results of these math calculations in a short period of time. Reaction time measured by Tobii Eye tracker and calculation accuracy were recorded and compared between the direct vision and virtual rehabilitation environment. Performance outcomes measured for both groups included reaction time, reading time, answering time and the verbal answer score. A significant difference between the groups was only found for the reaction time (p = .004). Participants had more difficulty recognizing the first equation of the virtual environment. Participants reaction time was faster in the direct vision environment. This reaction time delay should be kept in mind when designing skill training scenarios in virtual environments. This was a pilot project to a series of studies assessing cognition ability of stroke patients who are undertaking a rehabilitation program with a virtual training environment. Implications for rehabilitation Eye tracking is a reliable tool that can be employed in rehabilitation virtual environments. Reaction time changes between direct vision and virtual environment.

Acute physical exercise under hypoxia improves sleep, mood and reaction time.

Science.gov (United States)

de Aquino-Lemos, Valdir; Santos, Ronaldo Vagner T; Antunes, Hanna Karen Moreira; Lira, Fabio S; Luz Bittar, Irene G; Caris, Aline V; Tufik, Sergio; de Mello, Marco Tulio

2016-02-01

This study aimed to assess the effect of two sessions of acute physical exercise at 50% VO2peak performed under hypoxia (equivalent to an altitude of 4500 m for 28 h) on sleep, mood and reaction time. Forty healthy men were randomized into 4 groups: Normoxia (NG) (n = 10); Hypoxia (HG) (n = 10); Exercise under Normoxia (ENG) (n = 10); and Exercise under Hypoxia (EHG) (n = 10). All mood and reaction time assessments were performed 40 min after awakening. Sleep was reassessed on the first day at 14 h after the initiation of hypoxia; mood and reaction time were measured 28 h later. Two sessions of acute physical exercise at 50% VO2peak were performed for 60 min on the first and second days after 3 and 27 h, respectively, after starting to hypoxia. Improved sleep efficiency, stage N3 and REM sleep and reduced wake after sleep onset were observed under hypoxia after acute physical exercise. Tension, anger, depressed mood, vigor and reaction time scores improved after exercise under hypoxia. We conclude that hypoxia impairs sleep, reaction time and mood. Acute physical exercise at 50% VO2peak under hypoxia improves sleep efficiency, reversing the aspects that had been adversely affected under hypoxia, possibly contributing to improved mood and reaction time.

Ionic Diffusion and Kinetic Homogeneous Chemical Reactions in the Pore Solution of Porous Materials with Moisture Transport

DEFF Research Database (Denmark)

Johannesson, Björn

2009-01-01

Results from a systematic continuum mixture theory will be used to establish the governing equations for ionic diffusion and chemical reactions in the pore solution of a porous material subjected to moisture transport. The theory in use is the hybrid mixture theory (HMT), which in its general form......’s law of diffusion and the generalized Darcy’s law will be used together with derived constitutive equations for chemical reactions within phases. The mass balance equations for the constituents and the phases together with the constitutive equations gives the coupled set of non-linear differential...... general description of chemical reactions among constituents is described. The Petrov – Galerkin approach are used in favour of the standard Galerkin weighting in order to improve the solution when the convective part of the problem is dominant. A modified type of Newton – Raphson scheme is derived...

Lie and Q-Conditional Symmetries of Reaction-Diffusion-Convection Equations with Exponential Nonlinearities and Their Application for Finding Exact Solutions

Directory of Open Access Journals (Sweden)

Roman Cherniha

2018-04-01

Full Text Available This review is devoted to search for Lie and Q-conditional (nonclassical symmetries and exact solutions of a class of reaction-diffusion-convection equations with exponential nonlinearities. A complete Lie symmetry classification of the class is derived via two different algorithms in order to show that the result depends essentially on the type of equivalence transformations used for the classification. Moreover, a complete description of Q-conditional symmetries for PDEs from the class in question is also presented. It is shown that all the well-known results for reaction-diffusion equations with exponential nonlinearities follow as particular cases from the results derived for this class of reaction-diffusion-convection equations. The symmetries obtained for constructing exact solutions of the relevant equations are successfully applied. The exact solutions are compared with those found by means of different techniques. Finally, an application of the exact solutions for solving boundary-value problems arising in population dynamics is presented.

The Simplest Chronoscope V: A Theory of Dual Primary and Secondary Reaction Time Systems.

Science.gov (United States)

Montare, Alberto

2016-12-01

Extending work by Montare, visual simple reaction time, choice reaction time, discriminative reaction time, and overall reaction time scores obtained from college students by the simplest chronoscope (a falling meterstick) method were significantly faster as well as significantly less variable than scores of the same individuals from electromechanical reaction timers (machine method). Results supported the existence of dual reaction time systems: an ancient primary reaction time system theoretically activating the V5 parietal area of the dorsal visual stream that evolved to process significantly faster sensory-motor reactions to sudden stimulations arising from environmental objects in motion, and a secondary reaction time system theoretically activating the V4 temporal area of the ventral visual stream that subsequently evolved to process significantly slower sensory-perceptual-motor reactions to sudden stimulations arising from motionless colored objects. © The Author(s) 2016.

Influence of interface reactions on the YBCO films grown by fluorine-free solution route

DEFF Research Database (Denmark)

Zhao, Yue; Wu, Wei; Tang, Xiao

2015-01-01

Fabrication of full-stacked coated conductors by all-chemical-solution routes exhibit a great potential in view of further reducing the cost and increasing the throughput for industrialization. Growth of YBa2Cu3O7−x (YBCO) superconducting films by fluorine-free metal organic deposition routes (FF......-MOD) which are environmental friendly has attracted more attentions recently. In this work, comparison study was performed on the YBCO-Ag superconducting thin films deposited on two types of single crystal substrates, LaAlO3 and Ce0.9La0.9O2−y/YSZ. The structural characterization and superconducting...... properties studies reveal that the interface reactions between the YBCO-Ag film and the CLO cap layer play an essential role on the nucleation and growth of YBCO-Ag films from the FF solution. Weak texture caused by serious interface reactions at high growth temperature is the main explanations for the poor...

Direct observation of an isopolyhalomethane O-H insertion reaction with water: Picosecond time-resolved resonance Raman (ps-TR3) study of the isobromoform reaction with water to produce a CHBr2OH product

International Nuclear Information System (INIS)

Kwok, W.M.; Zhao Cunyuan; Li Yunliang; Guan Xiangguo; Phillips, David Lee

2004-01-01

Picosecond time-resolved resonance Raman (ps-TR 3 ) spectroscopy was used to obtain the first definitive spectroscopic observation of an isopolyhalomethane O-H insertion reaction with water. The ps-TR 3 spectra show that isobromoform is produced within several picoseconds after photolysis of CHBr 3 and then reacts on the hundreds of picosecond time scale with water to produce a CHBr 2 OH reaction product. Photolysis of low concentrations of bromoform in aqueous solution resulted in noticeable formation of HBr strong acid. Ab initio calculations show that isobromoform can react with water to produce a CHBr 2 (OH) O-H insertion reaction product and a HBr leaving group. This is consistent with both the ps-TR 3 experiments that observe the reaction of isobromoform with water to form a CHBr 2 (OH) product and photolysis experiments that show HBr acid formation. We briefly discuss the implications of these results for the phase dependent behavior of polyhalomethane photochemistry in the gas phase versus water solvated environments

Effect of Nicotine on Audio and Visual Reaction Time in Dipping ...

African Journals Online (AJOL)

Nicotine through blood is harmful and as there are fewer studies in India with respect to nicotines influence on reaction time especially in the smokeless tobacco users we studied this. Reaction time is a measure of the sensorimotor integration in a person. We used a PC 1000 Hz reaction timer to record the audio and visual ...

Examining the Reaction Times of International Level Badminton Players Under 15

Directory of Open Access Journals (Sweden)

Mehmet Fatih Yüksel

2018-03-01

Full Text Available This research was conducted to examine the simple visual and auditory reaction times of badminton players of the national teams and to examine the possible effects of reaction-time average values of badminton players under the age of 15 who participated in the fifth International Rumi Child Sport Games. In total, 48 players (male = 24; female = 24 from six countries (Turkey, Azerbaijan, Bulgaria, Macedonia, Serbia, Georgia participated in the study. Stature, bodyweight, BMI, dominant and non-dominant hand visual and auditory reaction time values of the participants were detected. At the end of the study, it was determined that there were statistically significant differences between the countries in terms of male dominant and non-dominant hand visual reaction values, and male dominant hand auditory reaction values. It was also determined that there were statistically significant differences between the countries in terms of female bodyweight, BMI, dominant and non-dominant hand visual reaction values, and female non-dominant hand auditory reaction values. There was statistically significant difference between female and male players with regards to dominant and non-dominant hand visual, and non-dominant hand auditory reaction values. In conclusion, it was determined that the reaction times of the top ranking countries in the fifth International Rumi Child Sport Games under-15 were at a better level, and it can be concluded that this factor played an important role for success alongside with technique and tactic features.

Studying Equilibrium in the Chemical Reaction between Ferric and Iodide Ions in Solution Using a Simple and Inexpensive Approach

Science.gov (United States)

Nikolaychuk, Pavel Anatolyevich; Kuvaeva, Alyona Olegovna

2016-01-01

A laboratory experiment on the study of the chemical equilibrium based on the reaction between ferric and iodide ions in solution with the formation of ferrous ions, free iodine, and triiodide ions is developed. The total concentration of iodide and triiodide ions in the reaction mixture during the reaction is determined by the argentometric…

Merged Real Time GNSS Solutions for the READI System

Science.gov (United States)

Santillan, V. M.; Geng, J.

2014-12-01

Real-time measurements from increasingly dense Global Navigational Satellite Systems (GNSS) networks located throughout the western US offer a substantial, albeit largely untapped, contribution towards the mitigation of seismic and other natural hazards. Analyzed continuously in real-time, currently over 600 instruments blanket the San Andreas and Cascadia fault systems of the North American plate boundary and can provide on-the-fly characterization of transient ground displacements highly complementary to traditional seismic strong-motion monitoring. However, the utility of GNSS systems depends on their resolution, and merged solutions of two or more independent estimation strategies have been shown to offer lower scatter and higher resolution. Towards this end, independent real time GNSS solutions produced by Scripps Inst. of Oceanography and Central Washington University (PANGA) are now being formally combined in pursuit of NASA's Real-Time Earthquake Analysis for Disaster Mitigation (READI) positioning goals. CWU produces precise point positioning (PPP) solutions while SIO produces ambiguity resolved PPP solutions (PPP-AR). The PPP-AR solutions have a ~5 mm RMS scatter in the horizontal and ~10mm in the vertical, however PPP-AR solutions can take tens of minutes to re-converge in case of data gaps. The PPP solutions produced by CWU use pre-cleaned data in which biases are estimated as non-integer ambiguities prior to formal positioning with GIPSY 6.2 using a real time stream editor developed at CWU. These solutions show ~20mm RMS scatter in the horizontal and ~50mm RMS scatter in the vertical but re-converge within 2 min. or less following cycle-slips or data outages. We have implemented the formal combination of the CWU and SCRIPPS ENU displacements using the independent solutions as input measurements to a simple 3-element state Kalman filter plus white noise. We are now merging solutions from 90 stations, including 30 in Cascadia, 39 in the Bay Area, and 21

Carbon isotope exchange between gaseous CO2 and thin solution films: Artificial cave experiments and a complete diffusion-reaction model

Science.gov (United States)

Hansen, Maximilian; Scholz, Denis; Froeschmann, Marie-Louise; Schöne, Bernd R.; Spötl, Christoph

2017-08-01

Speleothem stable carbon isotope (δ13C) records provide important paleoclimate and paleo-environmental information. However, the interpretation of these records in terms of past climate or environmental change remains challenging because of various processes affecting the δ13C signals. A process that has only been sparsely discussed so far is carbon isotope exchange between the gaseous CO2 of the cave atmosphere and the dissolved inorganic carbon (DIC) contained in the thin solution film on the speleothem, which may be particularly important for strongly ventilated caves. Here we present a novel, complete reaction diffusion model describing carbon isotope exchange between gaseous CO2 and the DIC in thin solution films. The model considers all parameters affecting carbon isotope exchange, such as diffusion into, out of and within the film, the chemical reactions occurring within the film as well as the dependence of diffusion and the reaction rates on isotopic mass and temperature. To verify the model, we conducted laboratory experiments under completely controlled, cave-analogue conditions at three different temperatures (10, 20, 30 °C). We exposed thin (≈0.1 mm) films of a NaHCO3 solution with four different concentrations (1, 2, 5 and 10 mmol/l, respectively) to a nitrogen atmosphere containing a specific amount of CO2 (1000 and 3000 ppmV). The experimentally observed temporal evolution of the pH and δ13C values of the DIC is in good agreement with the model predictions. The carbon isotope exchange times in our experiments range from ca. 200 to ca. 16,000 s and strongly depend on temperature, film thickness, atmospheric pCO2 and the concentration of DIC. For low pCO2 (between 500 and 1000 ppmV, as for strongly ventilated caves), our time constants are substantially lower than those derived in a previous study, suggesting a potentially stronger influence of carbon isotope exchange on speleothem δ13C values. However, this process should only have an

Reaction of nitrous acid with U(IV) and nitric acid in 30% TBP-kerosene solution

International Nuclear Information System (INIS)

Xu Xiangrong; Hu Jingxin; Huang Huaian; Qiu Xiaoxi

1990-01-01

Reaction of nitrous acid with U(IV) and nitric acid in 30% TBP-kerosene solution is investigated, the rate equations of oxidation of U(IV) by nitrous acid and that of nitrous acid reacting with nitric acid are obtained

Measurement of solute proton spin-lattice relaxation times in water using the 1,3,3,1 sequence

International Nuclear Information System (INIS)

Sankar, S.S.; Mole, P.A.; Coulson, R.L.

1986-01-01

1 H NMR spin-lattice relaxation times (T1) of the N-CH3 proton resonances of phosphocreatine (PCr) and creatine (Cr) in water solutions were obtained using the 1,3,3,1 pulse sequence. These T1 values were equivalent to those obtained in D 2 O and water using either the conventional inversion-recovery experiment or the 1,3,3,1 pulse sequence. Thus, the 1,3,3,1 sequence of proton NMR can provide an independent means along with phosphorous NMR for assess PCr and for the study of the creatine kinase reaction (PCr + ADP in equilibrium ATP + Cr) in aqueous solutions and perhaps in biological preparations

Electrophysiological Correlates of Changes in Reaction Time Based on Stimulus Intensity

Science.gov (United States)

Lakhani, Bimal; Vette, Albert H.; Mansfield, Avril; Miyasike-daSilva, Veronica; McIlroy, William E.

2012-01-01

Background Although reaction time is commonly used as an indicator of central nervous system integrity, little is currently understood about the mechanisms that determine processing time. In the current study, we are interested in determining the differences in electrophysiological events associated with significant changes in reaction time that could be elicited by changes in stimulus intensity. The primary objective is to assess the effect of increasing stimulus intensity on the latency and amplitude of afferent inputs to the somatosensory cortex, and their relation to reaction time. Methods Median nerve stimulation was applied to the non-dominant hand of 12 healthy young adults at two different stimulus intensities (HIGH & LOW). Participants were asked to either press a button as fast as possible with their dominant hand or remain quiet following the stimulus. Electroencephalography was used to measure somatosensory evoked potentials (SEPs) and event related potentials (ERPs). Electromyography from the flexor digitorum superficialis of the button-pressing hand was used to assess reaction time. Response time was the time of button press. Results Reaction time and response time were significantly shorter following the HIGH intensity stimulus compared to the LOW intensity stimulus. There were no differences in SEP (N20 & P24) peak latencies and peak-to-peak amplitude for the two stimulus intensities. ERPs, locked to response time, demonstrated a significantly larger pre-movement negativity to positivity following the HIGH intensity stimulus over the Cz electrode. Discussion This work demonstrates that rapid reaction times are not attributable to the latency of afferent processing from the stimulated site to the somatosensory cortex, and those latency reductions occur further along the sensorimotor transformation pathway. Evidence from ERPs indicates that frontal planning areas such as the supplementary motor area may play a role in transforming the elevated sensory

Choice reaction time in patients with post-operative cognitive dysfunction

DEFF Research Database (Denmark)

Steinmetz, J.; Rasmussen, L.S.

2008-01-01

BACKGROUND: Post-operative cognitive dysfunction (POCD) is detected by administration of a neuropsychological test battery. Reaction time testing is at present not included as a standard test. Choice reaction time (CRT) data from the first International Study of Post-operative Cognitive Dysfunction...... in nine countries. CRT was measured 52 times using the four boxes test. Patients performed the test before surgery (n=1083), at 1 week (n=926) and at 3 months (n=852) post-operatively. CRT for the individual patient was determined as the median time of correct responses. The usefulness of the CRT...... had a significantly longer CRT. ROC curves revealed that a reaction time of 813 ms was the most appropriate cut-off at 1 week and 762 ms at 3 months but the positive predictive value for POCD was low: 34.4% and 14.7%, respectively. CONCLUSIONS: Post-operative cognitive dysfunction is associated...

Struvite Precipitation and Phosphorous Removal from Urine Synthetic Solution: Reaction Kinetic Study

Directory of Open Access Journals (Sweden)

Marwa Saied Shalaby

2015-03-01

Full Text Available Phosphorus, like oil, is a non-renewable resource that must be harvested from finite resources in the earth’s crust. An essential element for life, phosphorus is becoming increasingly scarce, contaminated, and difficult to extract. Struvite or magnesium ammonium phosphate (MgNH4PO4.6H2O is a white, crystalline phosphate mineral that can be used as a bio-available fertilizer. The main objective of this research is to indicate the most important operating parameters affecting struvite precipitation by means of chemical reaction kinetics. The present study explores struvite precipitation by chemical method under different starting molar ratios, pH and SSR. It is shown that an increase of starting Mg: PO4: NH4 with respect to magnesium (1.6:1:1 strongly influences the growth rate of struvite and so the efficiency of the phosphate removal. This was attributed to the effect of magnesium on the struvite solubility product and on the reached supersaturation Super Saturation Ratio at optimum starting molar ratio and pH. It was also shown, by using chemical precipitation method that the determined Super Saturation Ratio (SSR values of struvite, at 8, 8.5, 9, 9.5 and 10 are 1.314, 4.29, 8.89, 9.87 and 14.89 respectively are close to those presented in the literature for different origins of wastewater streams. The results show that SSR , pH, and starting molar ratio strongly influences the kinetics of precipitation and so phosphorous removal to reach 93% removal percent , 5.95 mg/lit as a minimum PO4 remained in solution, and 7.9 gm precipitated struvite from feed synthetic solution of 750 ml . The product was subjected to chemical analysis by means of EDIX-FTIR, SEM and XRD showing conformity with published literature. First-order kinetics was found to be sufficient to describe the rate data. The rates increased with increasing pH and so SSR and the apparent rate constants for the reaction were determined. © 2015 BCREC UNDIP. All rights reserved

Catalytic Activity of Urchin-like Ni nanoparticles Prepared by Solvothermal Method for Hydrogen Evolution Reaction in Alkaline Solution

International Nuclear Information System (INIS)

Abbas, Syed Asad; Iqbal, Muhammad Ibrahim; Kim, Seong-Hoon; Jung, Kwang-Deog

2017-01-01

Highlights: • Urchin-like Ni is prepared in solvothermal reaction. • Urchin-like Ni is formed via Ni(OH) 2 aggregates in ethanol and oleylamine. • Exchange current density of urchin-like Ni is 0.191 mA cm −2 . • Urchin-like Ni exceeds the catalytic performance of commercial Pt/C in HER. - Abstract: Ni nanoparticles with different morphologies were synthesized for hydrogen evolution reaction (HER) in alkaline solution. Here, Ni(acac) 2 was converted into Ni metal nanoparticles in solvothermal reactions with simple alcohols and oleylamine (OAm). The morphology of the resulting Ni nanoparticles was dependent mainly on the OAm/Ni molar ratio in alcohol solvent. Aggregates of spherical Ni nanoparticles (NiEt-OAm1) were observed at the OAm/Ni molar ratio of 1.0, whereas two echinoid Ni nanoparticles (NiEt-OAm4 and NiEt-OAm6) could be prepared in ethanol at the OAm/Ni molar ratios of 4.0 and 6.0. Ni(OH) 2 formed in ethanol during a reaction time of 5 h was then reduced into echinoid Ni nanoparticles after 8 h. Echinoid Ni nanoparticles were formed by atomic addition on the tops of the multipod Ni particles formed via Ni(OH) 2 /NiO aggregates. Webbed feet-like particles (NiIPA-OAm4) with plate edges were also observed in isopropanol under the same reaction conditions. The catalytic activities of the prepared Ni nanoparticles for the hydrogen evolution reaction were evaluated in alkaline solution. The NiEt-OAm4 with urchin-like morphology was much more active than the NiIPA-OAm4 with webbed feet-like morphology. The exchange current density of Ni catalysts was increased with increasing the OAm/Ni molar ratio. The NiEt-OAm6 exhibited an exchange current of 0.191 mA cm −2 and the NiEt-OAm4 exceeded electrocatalytic performance of a commercial Pt catalysts (40% Pt on Vulcan XC 72) in a stability test for 100 kiloseconds at −1.5 V (vs. Hg/HgO) in 1.0 M NaOH due to its high stability.

Non-Perturbative Formulation of Time-Dependent String Solutions

CERN Document Server

Alexandre, J; Mavromatos, Nikolaos E; Alexandre, Jean; Ellis, John; Mavromatos, Nikolaos E.

2006-01-01

We formulate here a new world-sheet renormalization-group technique for the bosonic string, which is non-perturbative in the Regge slope alpha' and based on a functional method for controlling the quantum fluctuations, whose magnitudes are scaled by the value of alpha'. Using this technique we exhibit, in addition to the well-known linear-dilaton cosmology, a new, non-perturbative time-dependent background solution. Using the reparametrization invariance of the string S-matrix, we demonstrate that this solution is conformally invariant to alpha', and we give a heuristic inductive argument that conformal invariance can be maintained to all orders in alpha'. This new time-dependent string solution may be applicable to primordial cosmology or to the exit from linear-dilaton cosmology at large times.

Recent results in muonium solution kinetics

International Nuclear Information System (INIS)

Jean, Y.C.; Ito, Y.; Stadlbauer, J.M.; Ng, B.W.; Walker, D.C.

1983-06-01

Using muonium spin rotation (MSR) techniques the aqueous solution kinetics of several muonium addition reactions and spin conversion interactions have been studied. The addition reactions show both diffusion and activation-controlled reaction rates with isotope effects between 1 and 3 for diffusion-control and between 7 and 31 for activation-control reactions. Barrier energies are typically approximately 15 kJ/mole and approximately 30 kJ/mole, respectively, for these processes in water. Spin-conversion interactions involving Ni +2 (aq) and Ni(cyclam) +2 complexes showed that spin-conversion of 'triplet' Mu by a paramagnetic solute occurs at or near the diffusion-controlled limit while the chemical reaction with the diamagnetic configuration of Ni(cyclam) +2 occurred some 100 times slower at ksub(M) 18 M -1 s -1

Reaction paths and equilibrium end-points in solid-solution aqueous-solution systems

Science.gov (United States)

Glynn, P.D.; Reardon, E.J.; Plummer, Niel; Busenberg, E.

1990-01-01

Equations are presented describing equilibrium in binary solid-solution aqueous-solution (SSAS) systems after a dissolution, precipitation, or recrystallization process, as a function of the composition and relative proportion of the initial phases. Equilibrium phase diagrams incorporating the concept of stoichiometric saturation are used to interpret possible reaction paths and to demonstrate relations between stoichiometric saturation, primary saturation, and thermodynamic equilibrium states. The concept of stoichiometric saturation is found useful in interpreting and putting limits on dissolution pathways, but there currently is no basis for possible application of this concept to the prediction and/ or understanding of precipitation processes. Previously published dissolution experiments for (Ba, Sr)SO4 and (Sr, Ca)C??O3orth. solids are interpreted using equilibrium phase diagrams. These studies show that stoichiometric saturation can control, or at least influence, initial congruent dissolution pathways. The results for (Sr, Ca)CO3orth. solids reveal that stoichiometric saturation can also control the initial stages of incongruent dissolution, despite the intrinsic instability of some of the initial solids. In contrast, recrystallisation experiments in the highly soluble KCl-KBr-H2O system demonstrate equilibrium. The excess free energy of mixing calculated for K(Cl, Br) solids is closely modeled by the relation GE = ??KBr??KClRT[a0 + a1(2??KBr-1)], where a0 is 1.40 ?? 0.02, a1, is -0.08 ?? 0.03 at 25??C, and ??KBr and ??KCl are the mole fractions of KBr and KCl in the solids. The phase diagram constructed using this fit reveals an alyotropic maximum located at ??KBr = 0.676 and at a total solubility product, ???? = [K+]([Cl-] + [Br-]) = 15.35. ?? 1990.

Selected specific rates of reactions of transients from water in aqueous solution. II. Hydrogen atom

International Nuclear Information System (INIS)

Anbar, M.; Farhataziz; Ross, A.B.

1975-05-01

Rates of reactions of hydrogen atoms (from radiolysis of water and other sources) with organic and inorganic molecules, ions, and transients in aqueous solution were tabulated. Directly measured rates obtained by kinetic spectroscopy or conductimetric methods, and relative rates determined by competition kinetics are included. (U.S.)

Analytical solution for multi-species contaminant transport in finite media with time-varying boundary conditions

Science.gov (United States)

Most analytical solutions available for the equations governing the advective-dispersive transport of multiple solutes undergoing sequential first-order decay reactions have been developed for infinite or semi-infinite spatial domains and steady-state boundary conditions. In this work we present an ...

Time-periodic solutions of the Benjamin-Ono equation

Energy Technology Data Exchange (ETDEWEB)

Ambrose , D.M.; Wilkening, Jon

2008-04-01

We present a spectrally accurate numerical method for finding non-trivial time-periodic solutions of non-linear partial differential equations. The method is based on minimizing a functional (of the initial condition and the period) that is positive unless the solution is periodic, in which case it is zero. We solve an adjoint PDE to compute the gradient of this functional with respect to the initial condition. We include additional terms in the functional to specify the free parameters, which, in the case of the Benjamin-Ono equation, are the mean, a spatial phase, a temporal phase and the real part of one of the Fourier modes at t = 0. We use our method to study global paths of non-trivial time-periodic solutions connecting stationary and traveling waves of the Benjamin-Ono equation. As a starting guess for each path, we compute periodic solutions of the linearized problem by solving an infinite dimensional eigenvalue problem in closed form. We then use our numerical method to continue these solutions beyond the realm of linear theory until another traveling wave is reached (or until the solution blows up). By experimentation with data fitting, we identify the analytical form of the solutions on the path connecting the one-hump stationary solution to the two-hump traveling wave. We then derive exact formulas for these solutions by explicitly solving the system of ODE's governing the evolution of solitons using the ansatz suggested by the numerical simulations.

Time-periodic solutions of the Benjamin-Ono equation

International Nuclear Information System (INIS)

Ambrose, D.M.; Wilkening, Jon

2008-01-01

We present a spectrally accurate numerical method for finding non-trivial time-periodic solutions of non-linear partial differential equations. The method is based on minimizing a functional (of the initial condition and the period) that is positive unless the solution is periodic, in which case it is zero. We solve an adjoint PDE to compute the gradient of this functional with respect to the initial condition. We include additional terms in the functional to specify the free parameters, which, in the case of the Benjamin-Ono equation, are the mean, a spatial phase, a temporal phase and the real part of one of the Fourier modes at t = 0. We use our method to study global paths of non-trivial time-periodic solutions connecting stationary and traveling waves of the Benjamin-Ono equation. As a starting guess for each path, we compute periodic solutions of the linearized problem by solving an infinite dimensional eigenvalue problem in closed form. We then use our numerical method to continue these solutions beyond the realm of linear theory until another traveling wave is reached (or until the solution blows up). By experimentation with data fitting, we identify the analytical form of the solutions on the path connecting the one-hump stationary solution to the two-hump traveling wave. We then derive exact formulas for these solutions by explicitly solving the system of ODE's governing the evolution of solitons using the ansatz suggested by the numerical simulations

Delay chemical master equation: direct and closed-form solutions.

Science.gov (United States)

Leier, Andre; Marquez-Lago, Tatiana T

2015-07-08

The stochastic simulation algorithm (SSA) describes the time evolution of a discrete nonlinear Markov process. This stochastic process has a probability density function that is the solution of a differential equation, commonly known as the chemical master equation (CME) or forward-Kolmogorov equation. In the same way that the CME gives rise to the SSA, and trajectories of the latter are exact with respect to the former, trajectories obtained from a delay SSA are exact representations of the underlying delay CME (DCME). However, in contrast to the CME, no closed-form solutions have so far been derived for any kind of DCME. In this paper, we describe for the first time direct and closed solutions of the DCME for simple reaction schemes, such as a single-delayed unimolecular reaction as well as chemical reactions for transcription and translation with delayed mRNA maturation. We also discuss the conditions that have to be met such that such solutions can be derived.

A Comparative Study of Simple Auditory Reaction Time in Blind (Congenitally) and Sighted Subjects

OpenAIRE

Gandhi, Pritesh Hariprasad; Gokhale, Pradnya A.; Mehta, H. B.; Shah, C. J.

2013-01-01

Background: Reaction time is the time interval between the application of a stimulus and the appearance of appropriate voluntary response by a subject. It involves stimulus processing, decision making, and response programming. Reaction time study has been popular due to their implication in sports physiology. Reaction time has been widely studied as its practical implications may be of great consequence e.g., a slower than normal reaction time while driving can have grave results. Objective:...

Delineating pMDI model reactions with loblolly pine via solution-state NMR spectroscopy. Part 1, Catalyzed reactions with wood models and wood polymers

Science.gov (United States)

Daniel J. Yelle; John Ralph; Charles R. Frihart

2011-01-01

To better understand adhesive interactions with wood, reactions between model compounds of wood and a model compound of polymeric methylene diphenyl diisocyanate (pMDI) were characterized by solution-state NMR spectroscopy. For comparison, finely ground loblolly pine sapwood, milled-wood lignin and holocellulose from the same wood were isolated and derivatized with...

Effect of the raw material type and the reaction time on the synthesis of halloysite based Zeolite Na-P1

Science.gov (United States)

Meftah, Mahdi; Oueslati, Walid; Chorfi, Nejmeddine; Ben Haj Amara, Abdesslem

Zeolites are currently one of the most important classes of inorganic materials because of their multiple applications not only as ions exchangers and molecular sieves, but also as catalysts. This works focus the synthesis and the characterization of Zeolite Na-P1 using halloysite (collected near Ain Khemouda, western Tunisia) as the starting material. Two parameters, such as the host materials type (natural or treated) and the reaction time, involved in the synthesis process are investigated. The intermediate phases and final products were characterized by X-ray diffraction, Infrared IR spectroscopy, scanning electron microscopy and high-resolution 29Si and 27Al MAS NMR. Obtained results show that the hydrothermal synthesis from natural and heated-halloysite leads to formation of homogenous Zeolite Na-P1. The difference in the crystallization/transformation time process is explained by the effect of the dissolution rate of the starting materials in sodium hydroxide solution. In the case of heated halloysite, the synthesis reaction with alkali solution occurs very readily and achieved without prior thermal activation at high temperature. The optimal conditions of Zeolite Na-P1 crystallization, from heated-halloysite, are reached at 120 °C.

Solution and surface chemistry of the Se(IV)-Fe(0) reactions: Effect of initial solution pH.

Science.gov (United States)

Xia, Xuefen; Ling, Lan; Zhang, Wei-Xian

2017-02-01

Aspects of solution and solid-phase reactions between selenite (Se(IV)) and nanoscale zero-valent iron (nZVI) were investigated. Experimental results on the effects of initial solution pH, formation and evolution of nZVI corrosion products, and speciation of selenium in nZVI were presented. In general, the rate of Se(IV) removal decreases with increasing initial pH. The observed rate constants of Se(IV) removal decreased from 0.3530 to 0.0364 min -1 as pH increased from 4.0 to 10.0. Composition and morphology of nZVI corrosion products and selenium species were characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Results confirmed that Se(IV) was reduced to Se(0) and Se(-II) by nZVI. Lower solution pH favored further reduction of Se(0) to Se(-II). Amorphous FeOOH, magnetite/maghemite (Fe 3 O 4 /γ-Fe 2 O 3 ) and ferrous hydroxide (Fe(OH) 2 ) were identified as the main corrosion products. Under alkaline conditions, the corrosion products were mainly of Fe(OH) 2 along with small amounts of Fe 3 O 4 , while nZVI in acidic solutions was oxidized to mostly Fe 3 O 4 and amorphous FeOOH. Furthermore, these corrosion products acted as intermediates for electron transfer and reactive/sorptive sites for Se(IV) adsorption and reduction, thus played a crucial role in the removal of aqueous Se(IV). Copyright © 2016. Published by Elsevier Ltd.

Reformulation and solution of the master equation for multiple-well chemical reactions.

Science.gov (United States)

Georgievskii, Yuri; Miller, James A; Burke, Michael P; Klippenstein, Stephen J

2013-11-21

We consider an alternative formulation of the master equation for complex-forming chemical reactions with multiple wells and bimolecular products. Within this formulation the dynamical phase space consists of only the microscopic populations of the various isomers making up the reactive complex, while the bimolecular reactants and products are treated equally as sources and sinks. This reformulation yields compact expressions for the phenomenological rate coefficients describing all chemical processes, i.e., internal isomerization reactions, bimolecular-to-bimolecular reactions, isomer-to-bimolecular reactions, and bimolecular-to-isomer reactions. The applicability of the detailed balance condition is discussed and confirmed. We also consider the situation where some of the chemical eigenvalues approach the energy relaxation time scale and show how to modify the phenomenological rate coefficients so that they retain their validity.

A comparative study of simple auditory reaction time in blind (congenitally) and sighted subjects.

Science.gov (United States)

Gandhi, Pritesh Hariprasad; Gokhale, Pradnya A; Mehta, H B; Shah, C J

2013-07-01

Reaction time is the time interval between the application of a stimulus and the appearance of appropriate voluntary response by a subject. It involves stimulus processing, decision making, and response programming. Reaction time study has been popular due to their implication in sports physiology. Reaction time has been widely studied as its practical implications may be of great consequence e.g., a slower than normal reaction time while driving can have grave results. To study simple auditory reaction time in congenitally blind subjects and in age sex matched sighted subjects. To compare the simple auditory reaction time between congenitally blind subjects and healthy control subjects. STUDY HAD BEEN CARRIED OUT IN TWO GROUPS: The 1(st) of 50 congenitally blind subjects and 2(nd) group comprises of 50 healthy controls. It was carried out on Multiple Choice Reaction Time Apparatus, Inco Ambala Ltd. (Accuracy±0.001 s) in a sitting position at Government Medical College and Hospital, Bhavnagar and at a Blind School, PNR campus, Bhavnagar, Gujarat, India. Simple auditory reaction time response with four different type of sound (horn, bell, ring, and whistle) was recorded in both groups. According to our study, there is no significant different in reaction time between congenital blind and normal healthy persons. Blind individuals commonly utilize tactual and auditory cues for information and orientation and they reliance on touch and audition, together with more practice in using these modalities to guide behavior, is often reflected in better performance of blind relative to sighted participants in tactile or auditory discrimination tasks, but there is not any difference in reaction time between congenitally blind and sighted people.

Spectroscopic study on the stability of morin in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Bark, Ki Min [Dept. of Chemical Education and Research Institute of Life Science, Gyeongsang National University, Chinju (Korea, Republic of); Im, Seo Eun; Seo, Jung Ja; Park, Ok Hyun; Park, Hyoung Ryun [Dept. of Chemistry, Chonnam National University, Gwangju (Korea, Republic of); Park, Chul Ho [Dept. of Cosmetic Science, Nambu University, Gwangju (Korea, Republic of)

2015-02-15

Morin (3,2,4,5,7-pentahydroxyflavone) is a flavonol conjugated to a resorcinol moiety at the C-2 position, different from many other flavonoids. The UV–vis spectrum of morin in neat water reveals two major absorption bands with maxima at 265 and 387 nm. The substance is stable in acidic solution and neat water. However, its absorption maximum at 387 nm continuously shifts to longer wavelengths and new peaks appeared at wavelengths of 312 nm with increasing pH of the solution. The shape of the absorption spectrum of morin depends on the storage time at a given pH, indicating the occurrence of other successive chemical reactions. The fluorescence spectroscopic results also prove that new conjugated double bonds are formed in the deaerated basic solution at the initial state and decompose with time. This behavior indicates that morin is very unstable, and therefore its decomposition occurs by a sequence of multistep reactions in basic solution. Probable reaction pathways for the reaction are suggested based on the spectroscopic results.

Solution of Moving Boundary Space-Time Fractional Burger’s Equation

Directory of Open Access Journals (Sweden)

E. A.-B. Abdel-Salam

2014-01-01

Full Text Available The fractional Riccati expansion method is used to solve fractional differential equations with variable coefficients. To illustrate the effectiveness of the method, the moving boundary space-time fractional Burger’s equation is studied. The obtained solutions include generalized trigonometric and hyperbolic function solutions. Among these solutions, some are found for the first time. The linear and periodic moving boundaries for the kink solution of the Burger’s equation are presented graphically and discussed.

Solution to the monoenergetic time-dependent neutron transport equation with a time-varying source

International Nuclear Information System (INIS)

Ganapol, B.D.

1986-01-01

Even though fundamental time-dependent neutron transport problems have existed since the inception of neutron transport theory, it has only been recently that a reliable numerical solution to one of the basic problems has been obtained. Experience in generating numerical solutions to time-dependent transport equations has indicated that the multiple collision formulation is the most versatile numerical technique for model problems. The formulation coupled with a moment reconstruction of each collided flux component has led to benchmark-quality (four- to five-digit accuracy) numerical evaluation of the neutron flux in plane infinite geometry for any degree of scattering anisotropy and for both pulsed isotropic and beam sources. As will be shown in this presentation, this solution can serve as a Green's function, thus extending the previous results to more complicated source situations. Here we will be concerned with a time-varying source at the center of an infinite medium. If accurate, such solutions have both pedagogical and practical uses as benchmarks against which other more approximate solutions designed for a wider class of problems can be compared

Semianalytical Solutions of Radioactive or Reactive Transport in Variably-Fractured Layered Media: 1. Solutes

International Nuclear Information System (INIS)

George J. Moridis

2001-01-01

In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3 H, 237 Np and 239 Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity

Time behaviour of the reaction front in the catalytic A + B → B + C reaction-diffusion processes

International Nuclear Information System (INIS)

Nicolini, F.G.; Rodriguez, M.A.; Wio, H.S.

1994-07-01

The problem of the time evolution of the position and width of a reaction front between initially separated reactants for the catalytic reaction A + B → B + C (C inert) is treated within a recently introduced Galanin-like scheme. (author). 6 refs

Time-dependent coupled harmonic oscillators: classical and quantum solutions

International Nuclear Information System (INIS)

Macedo, D.X.; Guedes, I.

2014-01-01

In this work we present the classical and quantum solutions for an arbitrary system of time-dependent coupled harmonic oscillators, where the masses (m), frequencies (ω) and coupling parameter (k) are functions of time. To obtain the classical solutions, we use a coordinate and momentum transformations along with a canonical transformation to write the original Hamiltonian as the sum of two Hamiltonians of uncoupled harmonic oscillators with modified time-dependent frequencies and unitary masses. To obtain the exact quantum solutions we use a unitary transformation and the Lewis and Riesenfeld (LR) invariant method. The exact wave functions are obtained by solving the respective Milne–Pinney (MP) equation for each system. We obtain the solutions for the system with m 1 = m 2 = m 0 e γt , ω 1 = ω 01 e -γt/2 , ω 2 = ω 02 e -γt/2 and k = k 0 . (author)

Discharge time dependence of a solution plasma process for colloidal copper nanoparticle synthesis and particle characteristics

International Nuclear Information System (INIS)

Pootawang, Panuphong; Saito, Nagahiro; Lee, Sang Yul

2013-01-01

In this study, we investigate a new synthetic route, termed the solution plasma process, for the synthesis of colloidal copper nanoparticles (CuNPs) in the presence of an amide and acid capping agent. Gelatin and ascorbic acid were selected as the capping agents to protect the particles against coalescence and oxidation side reaction. Using a high voltage power supply, CuNPs were rapidly formed by 1 min after the discharge. The size and shape of the CuNPs were dependent on the discharge time and were clearly influenced by the effect of the capping agents under two characteristics of the discharge medium (pH and temperature). With a long discharge time, the CuNP size tended to decrease with the formation of anisotropic particle morphologies: spherical, cubic, hexagonal, triangular and rod-like shapes. The decrease in CuNP size as a function of discharge time could be explained by the dissolution of CuNPs in a lower pH solution. After 5 min discharge the capping agent evidently allowed the protection of the synthesized CuNPs against oxidation with the presence of anisotropic CuNP shapes. It is demonstrated that the CuNP shape could be tuned from spherical to anisotropic shapes without the undesirable oxidation by adjusting the discharge time of the solution plasma. These advantages are valuable for material engineering to design the properties of Cu-based nanoparticles for the desired applications. (paper)

Theoretical study of the influence of chemical reactions and physical parameters on the convective dissolution of CO2 in aqueous solutions

Science.gov (United States)

Loodts, Vanessa; Rongy, Laurence; De Wit, Anne

2014-05-01

Subsurface carbon sequestration has emerged as a promising solution to the problem of increasing atmospheric carbon dioxide (CO2) levels. How does the efficiency of such a sequestration process depend on the physical and chemical characteristics of the storage site? This question is emblematic of the need to better understand the dynamics of CO2 in subsurface formations, and in particular, the properties of the convective dissolution of CO2 in the salt water of aquifers. This dissolution is known to improve the safety of the sequestration by reducing the risks of leaks of CO2 to the atmosphere. Buoyancy-driven convection makes this dissolution faster by transporting dissolved CO2 further away from the interface. Indeed, upon injection, the less dense CO2 phase rises above the aqueous layer where it starts to dissolve. The dissolved CO2 increases the density of the aqueous solution, thereby creating a layer of denser CO2-rich solution above less dense solution. This unstable density gradient in the gravity field is at the origin of convection. In this framework, we theoretically investigate the effect of CO2 pressure, salt concentration, temperature, and chemical reactions on the dissolution-driven convection of CO2 in aqueous solutions. On the basis of a linear stability analysis, we assess the stability of the time-dependent density profiles developing when CO2 dissolves in an aqueous layer below it. We predict that increasing CO2 pressure destabilizes the system with regard to buoyancy-driven convection, because it increases the density gradient at the origin of the instability. By contrast, increasing salt concentration or temperature stabilizes the system via effects on CO2 solubility, solutal expansion coefficient, diffusion coefficient and on the viscosity and density of the solution. We also show that a reaction of CO2 with chemical species dissolved in the aqueous solution can either enhance or decrease the amplitude of the convective dissolution compared

The time dependence of rate constants of esub(aq)sup(-) reactions

International Nuclear Information System (INIS)

Burcl, R.; Byakov, V.M.; Grafutin, V.I.

1982-01-01

Published data about the time dependence of rate constants k(esub(aq)sup(-)+Ac) of esub(aq)sup(-) reactions with the acceptor Ac are analyzed, using the results of rate constant k(Ps+Ac) measurements for positronium reactions. It is shown that neither esub(aq)sup(-) nor Ps reaction rate constants depend on time in the observable range. Experimentally found concentration dependence of k(esub(aq)sup(-)+Ac) is due to other factors, connected with the existence of electric charge of esub(aq)sup(-), e.g. ionic strength, tunnelling effect etc. (author)

Data interoperability software solution for emergency reaction in the Europe Union

Science.gov (United States)

Casado, R.; Rubiera, E.; Sacristan, M.; Schütte, F.; Peters, R.

2015-07-01

Emergency management becomes more challenging in international crisis episodes because of cultural, semantic and linguistic differences between all stakeholders, especially first responders. Misunderstandings between first responders makes decision making slower and more difficult. However, spread and development of networks and IT-based emergency management systems (EMSs) have improved emergency responses, which have become more coordinated. Despite improvements made in recent years, EMSs have not still solved problems related to cultural, semantic and linguistic differences which are the real cause of slower decision making. In addition, from a technical perspective, the consolidation of current EMSs and the different formats used to exchange information offers another problem to be solved in any solution proposed for information interoperability between heterogeneous EMSs in different contexts. To overcome these problems, we present a software solution based on semantic and mediation technologies. EMERGency ELements (EMERGEL) (Fundacion CTIC and AntwortING Ingenieurbüro PartG, 2013), a common and modular ontology shared by all the stakeholders, has been defined. It offers the best solution to gather all stakeholders' knowledge in a unique and flexible data model, taking into account different countries' cultural and linguistic issues. To deal with the diversity of data protocols and formats, we have designed a service-oriented architecture for data interoperability (named DISASTER: Data Interoperability Solution At STakeholders Emergency Reaction) providing a flexible extensible solution to solve the mediation issues. Web services have been adopted as specific technology to implement this paradigm that has the most significant academic and industrial visibility and attraction. Contributions of this work have been validated through the design and development of a cross-border realistic prototype scenario, actively involving both emergency managers and emergency

Standard Gibbs free energies of reactions of ozone with free radicals in aqueous solution: quantum-chemical calculations.

Science.gov (United States)

Naumov, Sergej; von Sonntag, Clemens

2011-11-01

Free radicals are common intermediates in the chemistry of ozone in aqueous solution. Their reactions with ozone have been probed by calculating the standard Gibbs free energies of such reactions using density functional theory (Jaguar 7.6 program). O(2) reacts fast and irreversibly only with simple carbon-centered radicals. In contrast, ozone also reacts irreversibly with conjugated carbon-centered radicals such as bisallylic (hydroxycylohexadienyl) radicals, with conjugated carbon/oxygen-centered radicals such as phenoxyl radicals, and even with nitrogen- oxygen-, sulfur-, and halogen-centered radicals. In these reactions, further ozone-reactive radicals are generated. Chain reactions may destroy ozone without giving rise to products other than O(2). This may be of importance when ozonation is used in pollution control, and reactions of free radicals with ozone have to be taken into account in modeling such processes.

Zinc electrodeposition from flowing alkaline zincate solutions: Role of hydrogen evolution reaction

Science.gov (United States)

Dundálek, Jan; Šnajdr, Ivo; Libánský, Ondřej; Vrána, Jiří; Pocedič, Jaromír; Mazúr, Petr; Kosek, Juraj

2017-12-01

The hydrogen evolution reaction is known as a parasitic reaction during the zinc electrodeposition from alkaline zincate solutions and is thus responsible for current efficiency losses during the electrolysis. Besides that, the rising hydrogen bubbles may cause an extra convection within a diffusion layer, which leads to an enhanced mass transport of zincate ions to an electrode surface. In this work, the mentioned phenomena were studied experimentally in a flow through electrolyzer and the obtained data were subsequently evaluated by mathematical models. The results prove the indisputable influence of the rising hydrogen bubbles on the additional mixing of the diffusion layer, which partially compensates the drop of the current efficiency of the zinc deposition at higher current flows. Moreover, the results show that the current density ratio (i.e., the ratio of an overall current density to a zinc limiting current density) is not suitable for the description of the zinc deposition, because the hydrogen evolution current density is always involved in the overall current density.

Facile synthesis of dendritic Cu by electroless reaction of Cu-Al alloys in multiphase solution

Energy Technology Data Exchange (ETDEWEB)

Wang, Ying; Liang, Shuhua, E-mail: liangxaut@gmail.com; Yang, Qing; Wang, Xianhui

2016-11-30

Highlights: • Nano- or micro-scale fractal dendritic copper (FDC) was synthesized by electroless immersing of Cu-Al alloys in CuCl{sub 2} + HCl. • FDC size increases with the increase of Al content in Cu-Al alloys immersed in CuCl{sub 2} + HCl solution. • Nanoscale Cu{sub 2}O was found at the edge of FDC. Nanoporous copper (NPC) can also be obtained by using Cu{sub 17}Al{sub 83} alloy. • The potential difference between CuAl{sub 2} and α-Al phase and the replacement reaction in multiphase solution are key factors. - Abstract: Two-dimensional nano- or micro-scale fractal dendritic coppers (FDCs) were synthesized by electroless immersing of Cu-Al alloys in hydrochloric acid solution containing copper chloride without any assistance of template or surfactant. The FDC size increases with the increase of Al content in Cu-Al alloys immersed in CuCl{sub 2} + HCl solution. Compared to Cu{sub 40}Al{sub 60} and Cu{sub 45}Al{sub 55} alloys, the FDC shows hierarchical distribution and homogeneous structures using Cu{sub 17}Al{sub 83} alloy as the starting alloy. The growth direction of the FDC is <110>, and all angles between the trunks and branches are 60°. Nanoscale Cu{sub 2}O was found at the edge of FDC. Interestingly, nanoporous copper (NPC) can also be obtained through Cu{sub 17}Al{sub 83} alloy. Studies showed that the formation of FDC depended on two key factors: the potential difference between CuAl{sub 2} intermetallic and α-Al phase of dual-phase Cu-Al alloys; a replacement reaction that usually occurs in multiphase solution. The electrochemical experiment further proved that the multi-branch dendritic structure is very beneficial to the proton transfer in the process of catalyzing methanol.

Chemical Continuous Time Random Walks

Science.gov (United States)

Aquino, T.; Dentz, M.

2017-12-01

Traditional methods for modeling solute transport through heterogeneous media employ Eulerian schemes to solve for solute concentration. More recently, Lagrangian methods have removed the need for spatial discretization through the use of Monte Carlo implementations of Langevin equations for solute particle motions. While there have been recent advances in modeling chemically reactive transport with recourse to Lagrangian methods, these remain less developed than their Eulerian counterparts, and many open problems such as efficient convergence and reconstruction of the concentration field remain. We explore a different avenue and consider the question: In heterogeneous chemically reactive systems, is it possible to describe the evolution of macroscopic reactant concentrations without explicitly resolving the spatial transport? Traditional Kinetic Monte Carlo methods, such as the Gillespie algorithm, model chemical reactions as random walks in particle number space, without the introduction of spatial coordinates. The inter-reaction times are exponentially distributed under the assumption that the system is well mixed. In real systems, transport limitations lead to incomplete mixing and decreased reaction efficiency. We introduce an arbitrary inter-reaction time distribution, which may account for the impact of incomplete mixing. This process defines an inhomogeneous continuous time random walk in particle number space, from which we derive a generalized chemical Master equation and formulate a generalized Gillespie algorithm. We then determine the modified chemical rate laws for different inter-reaction time distributions. We trace Michaelis-Menten-type kinetics back to finite-mean delay times, and predict time-nonlocal macroscopic reaction kinetics as a consequence of broadly distributed delays. Non-Markovian kinetics exhibit weak ergodicity breaking and show key features of reactions under local non-equilibrium.

Effect of ionic strength on the kinetics of ionic and micellar reactions in aqueous solution

International Nuclear Information System (INIS)

Dung, M.H.; Kozak, J.J.

1982-01-01

The effect of electrostatic forces on the rate of reaction between ions in aqueous solutions of intermediate ionic strength is studied in this paper. We consider the kinetics of reactions involving simple ionic species (1--1 and 2--2 electrolyte systems) as well as kinetic processes mediated by the presence of micellar ions (or other charged organizates). In the regime of ionic strength considered, dielectric saturation of the solvent in the vicinity of the reacting ions must be taken into account and this is done by introducing several models to describe the recovery of the solvent from saturation to its continuum dielectric behavior. To explore the effects of ion size, charge number, and ionic strength on the overall rate constant for the process considered, we couple the traditional theory of ionic reactions in aqueous solution with calculations of the electrostatic potential obtained via solution of the nonlinear Poisson--Boltzmann equation. The great flexibility of the nonlinear Poisson--Boltzmann theory allows us to explore quantitatively the influence of each of these effects, and our simulations show that the short-range properties of the electrostatic potential affect primarily kinetically controlled processes (to varying degrees, depending on the ionic system considered) whereas the down-range properties of the potential play a (somewhat) greater role in influencing diffusion-controlled processes. A detailed examination is made of ionic strength effects over a broad range of ionic concentrations. In the regime of low ionic strength, the limiting slope and intercept of the curve describing the dependence of log k/sub D/ on I/sup 1/2//(1+I/sup 1/2/) may differ considerably from the usual Debye--Hueckel limiting relations, depending on the particular model chosen to describe local saturation effects

Time-reversal asymmetry: polarization and analyzing power in nuclear reactions

International Nuclear Information System (INIS)

Rioux, C.; Roy, R.; Slobodrian, R.J.; Conzett, H.E.

1984-01-01

Measurements of the proton polarization in the reactions 7 Li( 3 He, p vector) 9 Be and 9 Be( 3 He, p vector) 11 B and of the analyzing powers in the inverse reactions, initiated by polarized protons at the same center-of-mass energies, show significant differences. This implies the failure of the polarization-analyzing-power theorem and, prima facie, of time-reversal invariance in these reactions. The reaction 2 H( 3 He, p vector) 4 He and its inverse have also been investigated and show smaller differences. A discussion of instrumental asymmetries is presented

Time asymmetry: Polarization and analyzing power in the nuclear reactions

International Nuclear Information System (INIS)

Rioux, C.; Roy, R.; Slobodrian, R.J.; Conzett, H.E.

1983-01-01

Measurements of the proton polarization in the reactions 7 Li( 3 He, p vector) 9 Be and 9 Be( 3 He, p vector) 11 B and of the analyzing powers of the inverse reactions, initiated by polarized protons at the same c.m. energies, show significant differences which imply the failure of the polarization-analyzing-power theorem and, prima facie, of time-reversal invariance in these reactions. The reaction 2 H( 3 He, p vector) 4 He and its inverse have also been investigated and show some smaller differences. A discussion of the instrumental asymmetries is presented. (orig.)

Verification of Radicals Formation in Ethanol-Water Mixture Based Solution Plasma and Their Relation to the Rate of Reaction.

Science.gov (United States)

Sudare, Tomohito; Ueno, Tomonaga; Watthanaphanit, Anyarat; Saito, Nagahiro

2015-12-03

Our previous research demonstrated that using ethanol-water mixture as a liquid medium for the synthesis of gold nanoparticles by the solution plasma process (SPP) could lead to an increment of the reaction rate of ∼35.2 times faster than that in pure water. This drastic change was observed when a small amount of ethanol, that is, at an ethanol mole fraction (χethanol) of 0.089, was added in the system. After this composition, the reaction rate decreased continuously. To better understand what happens in the ethanol-water mixture-based SPP, in this study, effect of the ethanol content on the radical formation in the system was verified. We focused on detecting the magnetic resonance of electronic spins using electron spin resonance spectroscopy to determine the type and quantity of the generated radicals at each χethanol. Results indicated that ethanol radicals were generated in the ethanol-water mixtures and exhibited maximum quantity at the xethanol of 0.089. Relationship between the ethanol radical yield and the rate of reaction, along with possible mechanism responsible for the observed phenomenon, is discussed in this paper.

Investigation of hydrogen peroxide reduction reaction on graphene and nitrogen doped graphene nanoflakes in neutral solution

Science.gov (United States)

Amirfakhri, Seyed Javad; Binny, Dustin; Meunier, Jean-Luc; Berk, Dimitrios

2014-07-01

H2O2 reduction reaction (HPRR) is studied on both graphene (GNF) and nitrogen doped graphene nanoflakes in 0.1 M Na2SO4 solution by rotating disk electrode. The XPS results indicate that N-doped graphene nanoflakes with high nitrogen content, 32 at%N (N-GNF32), are synthesised successfully by an inductively-coupled thermal plasma (ICP) reactor. Pyridinic, pyrrolic and graphitic N species contribute up to 67% of the total nitrogen. Kinetic parameters such as Tafel slope and stoichiometric number suggest that HPRR occurs by the same mechanism on both GNF and N-GNF32. Although nitrogen does not change the mechanism of HPRR, the results indicate that the reaction rate of H2O2 reduction is enhanced on N-GNF32. The exchange current density of H2O2 reduction based on the active surface area of N-GNF32 is (8.3 ± 0.3) × 10-9 A cm-2, which is 6 times higher than the value determined for GNF. The apparent number of electrons involved in the process suggests that H2O2 decomposition competes with H2O2 reduction on both catalysts. Evaluation of the apparent heterogeneous reaction rate constant and the Tafel slope indicate that simultaneous reduction of O2 and H2O2 is negligible on the N-GNF32. On the other hand, the reduction of O2 and H2O2 occurs simultaneously on the GNF surface.

Application of a space-time CE/SE (Conversation Element/Solution Element) method to the numerical solution of chromatographic separation processes

DEFF Research Database (Denmark)

including convection-difmsion-reaction PDEs are numerically solved using the two methods on the same spatial grid. Even though the CE/SE method uses a simple stencil structure and is developed on a simple mathematical basis (i.e., Gauss' divergence theorem), accurate and computationally-efficient solutions...

Single-molecule stochastic times in a reversible bimolecular reaction

Science.gov (United States)

Keller, Peter; Valleriani, Angelo

2012-08-01

In this work, we consider the reversible reaction between reactants of species A and B to form the product C. We consider this reaction as a prototype of many pseudobiomolecular reactions in biology, such as for instance molecular motors. We derive the exact probability density for the stochastic waiting time that a molecule of species A needs until the reaction with a molecule of species B takes place. We perform this computation taking fully into account the stochastic fluctuations in the number of molecules of species B. We show that at low numbers of participating molecules, the exact probability density differs from the exponential density derived by assuming the law of mass action. Finally, we discuss the condition of detailed balance in the exact stochastic and in the approximate treatment.

Spike solutions in Gierer#x2013;Meinhardt model with a time dependent anomaly exponent

Science.gov (United States)

Nec, Yana

2018-01-01

Experimental evidence of complex dispersion regimes in natural systems, where the growth of the mean square displacement in time cannot be characterised by a single power, has been accruing for the past two decades. In such processes the exponent γ(t) in ⟨r2⟩ ∼ tγ(t) at times might be approximated by a piecewise constant function, or it can be a continuous function. Variable order differential equations are an emerging mathematical tool with a strong potential to model these systems. However, variable order differential equations are not tractable by the classic differential equations theory. This contribution illustrates how a classic method can be adapted to gain insight into a system of this type. Herein a variable order Gierer-Meinhardt model is posed, a generic reaction- diffusion system of a chemical origin. With a fixed order this system possesses a solution in the form of a constellation of arbitrarily situated localised pulses, when the components' diffusivity ratio is asymptotically small. The pattern was shown to exist subject to multiple step-like transitions between normal diffusion and sub-diffusion, as well as between distinct sub-diffusive regimes. The analytical approximation obtained permits qualitative analysis of the impact thereof. Numerical solution for typical cross-over scenarios revealed such features as earlier equilibration and non-monotonic excursions before attainment of equilibrium. The method is general and allows for an approximate numerical solution with any reasonably behaved γ(t).

Substep methods for burnup calculations with Bateman solutions

International Nuclear Information System (INIS)

Isotalo, A.E.; Aarnio, P.A.

2011-01-01

Highlights: → Bateman solution based depletion requires constant microscopic reaction rates. → Traditionally constant approximation is used for each depletion step. → Here depletion steps are divided to substeps which are solved sequentially. → This allows piecewise constant, rather than constant, approximation for each step. → Discretization errors are almost completely removed with only minor slowdown. - Abstract: When material changes in burnup calculations are solved by evaluating an explicit solution to the Bateman equations with constant microscopic reaction rates, one has to first predict the development of the reaction rates during the step and then further approximate these predictions with their averages in the depletion calculation. Representing the continuously changing reaction rates with their averages results in some error regardless of how accurately their development was predicted. Since neutronics solutions tend to be computationally expensive, steps in typical calculations are long and the resulting discretization errors significant. In this paper we present a simple solution to reducing these errors: the depletion steps are divided to substeps that are solved sequentially, allowing finer discretization of the reaction rates without additional neutronics solutions. This greatly reduces the discretization errors and, at least when combined with Monte Carlo neutronics, causes only minor slowdown as neutronics dominates the total running time.

Auditory and visual reaction time and peripheral field of vision in helmet users

Directory of Open Access Journals (Sweden)

Abbupillai Adhilakshmi

2016-12-01

Full Text Available Background: The incidence of fatal accidents are more in two wheeler drivers compared to four wheeler drivers. Head injury is of serious concern when recovery and prognosis of the patients are warranted, helmets are being used for safety purposes by moped, scooters and motorcycle drivers. Although, helmets are designed with cushioning effect to prevent head injuries but there are evidences of increase risk of neck injuries and reduced peripheral vision and hearing in helmet users. A complete full coverage helmets provide about less than 3 percent restrictions in horizontal peripheral visual field compared to rider without helmet. The standard company patented ergonomically designed helmets which does not affect the peripheral vision neither auditory reaction time. Objective: This pilot study aimed to evaluate the peripheral field of vision and auditory and visual reaction time in a hypertensive, diabetic and healthy male and female in order to have a better insight of protective characteristics of helmet in health and disease. Method: This pilot study carried out on age matched male of one healthy, one hypertensive and one diabetic and female subject of one healthy, one hypertensive and one diabetics. The field of vision was assessed by Lister’s perimeter whereas auditory and visual reaction time was recorded with response analyser. Result : Gender difference was not noted in peripheral field of vision but mild difference was found in auditory reaction time for high frequency and visual reaction time for both red and green colour in healthy control. But lateral and downward peripheral visual field was found reduced whereas auditory and visual reaction time was found increased in both hypertensive and diabetic subject in both sexes. Conclusion: Peripheral vision, auditory reaction time and visual reaction time in hypertensive and diabetics may lead to vulnerable accident. Helmet use has proven to reduce extent of injury in motorcyclist and

Reactions of plutonium with aceto-hydroxamic acid in aqueous solutions: first results

Energy Technology Data Exchange (ETDEWEB)

Butler, R.J.; Renshaw, J.C.; Collison, D.; Livens, F.R. [Manchester Univ. (United Kingdom). Dept. of Chemistry; Sinkov, S.; Choppin, G.R. [Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry; Taylor, R.J. [BNFL, Research and Technology, Sellafield, Seascale, Cumbria (United Kingdom)

2000-07-01

Optical spectroscopy has been used to follow the complexation reactions of Pu(IV) and Pu(VI) with the acetohydroxamate (AHA{sup -}) ligand. Significant reduction of Pu(IV) to Pu(III) occurs in the course of the experiment, although the experimental procedure has now been modified to suppress this and will allow Pu(IV)-AHA stability constants to be calculated. In the case of the Pu(VI)-AHA reaction, significant reduction occurs immediately, forming successively Pu(V), Pu(IV) and eventually Pu(III). This reaction was followed for 6 days, by which time Pu(VI) was quantitatively reduced to Pu(III). (authors)

Reactions of plutonium with aceto-hydroxamic acid in aqueous solutions: first results

International Nuclear Information System (INIS)

Butler, R.J.; Renshaw, J.C.; Collison, D.; Livens, F.R.

2000-01-01

Optical spectroscopy has been used to follow the complexation reactions of Pu(IV) and Pu(VI) with the acetohydroxamate (AHA - ) ligand. Significant reduction of Pu(IV) to Pu(III) occurs in the course of the experiment, although the experimental procedure has now been modified to suppress this and will allow Pu(IV)-AHA stability constants to be calculated. In the case of the Pu(VI)-AHA reaction, significant reduction occurs immediately, forming successively Pu(V), Pu(IV) and eventually Pu(III). This reaction was followed for 6 days, by which time Pu(VI) was quantitatively reduced to Pu(III). (authors)

Study on the surface reaction of LaNi{sub 5} alloy during discharge process in KOH solution

Energy Technology Data Exchange (ETDEWEB)

Tan Zuxian [Department of Chemistry, Wuhan University, Wuhan 430072 (China); Yang Yifu [Department of Chemistry, Wuhan University, Wuhan 430072 (China)]. E-mail: yang-y-f1@vip.sina.com; Jiang Fengshan [Department of Chemistry, Wuhan University, Wuhan 430072 (China); Shao Huixia [Department of Chemistry, Wuhan University, Wuhan 430072 (China)

2006-10-05

A new method for studying surface reaction of LaNi{sub 5} absorbing alloy in KOH solution (pH 12) was established. It is based on tip-substrate voltammetry of scanning electrochemical microscopy (SECM) where the tip faradic current is recorded while scanning the substrate potential. The Pt electrode is selected as tip electrode, and the Pt oxide formation-reduction is used as a pH-dependent reaction while the tip potential is held at a constant value. As substrate surface reactions proceed, the pH of solution can be changed, and then the tip faradic current is recorded. The mechanism of discharge process of LaNi{sub 5} alloy was analyzed by comparing the tip current (I {sub tip}) versus substrate potential (E {sub sub}) curve, which reflects the exchange of H{sup +} or OH{sup -} between the alloy surface and the solution, with the substrate current (I {sub sub}) versus substrate potential (E {sub sub}) curve, which reflects the exchange of electron on the LaNi{sub 5} alloy surface. The results showed that the OH{sup -} adsorption process is occurred before the electron transfer process during discharge process, and the adsorptive OH{sup -} helps the oxidation of adsorbed hydrogen atom on the alloy surface. A quantitative assessment for the maximum changes of pH during discharge process is also proposed, and the variation as large as 2.65 pH unit was detected.

Study on the surface reaction of LaNi{sub 5} alloy during discharge process in KOH solution

Energy Technology Data Exchange (ETDEWEB)

Tan, Zuxian; Yang, Yifu; Jiang, Fengshan; Shao, Huixia [Wuhan University, Wuhan (China). Department of Chemistry

2006-10-05

A new method for studying surface reaction of LaNi{sub 5} absorbing alloy in KOH solution (pH 12) was established. It is based on tip-substrate voltammetry of scanning electrochemical microscopy (SECM) where the tip faradic current is recorded while scanning the substrate potential. The Pt electrode is selected as tip electrode, and the Pt oxide formation-reduction is used as a pH-dependent reaction while the tip potential is held at a constant value. As substrate surface reactions proceed, the pH of solution can be changed, and then the tip faradic current is recorded. The mechanism of discharge process of LaNi{sub 5} alloy was analyzed by comparing the tip current (I{sub tip}) versus substrate potential (E{sub sub}) curve, which reflects the exchange of H{sup +} or OH{sup -} between the alloy surface and the solution, with the substrate current (I{sub sub}) versus substrate potential (E{sub sub}) curve, which reflects the exchange of electron on the LaNi{sub 5} alloy surface. The results showed that the OH{sup -} adsorption process is occurred before the electron transfer process during discharge process, and the adsorptive OH{sup -} helps the oxidation of adsorbed hydrogen atom on the alloy surface. A quantitative assessment for the maximum changes of pH during discharge process is also proposed, and the variation as large as 2.65 pH unit was detected. (author)

Kinetics of Np(4) oxidation reaction by persulphate in nitric acid solution in the presence of ferric ions as catalyst

Energy Technology Data Exchange (ETDEWEB)

Koltunov, V S; Marchenko, V I

1976-01-01

The kinetics of the reaction Np(IV) + Fe(III) = Np(V) + Fe(II)was investigated by a spectrophotometric method according to observation of the consumption of Np(IV) at 720 nm in a solution of HNO/sub 3/ + NaNO/sub 3/ in the concentration range; (F(III))equal (5.12-102.4).10/sup -3/ M, (H+) equal 0.14-1 M, (NO/sub 3//sup -/) = 0.5-2 M at an ionic strength of the solution ..mu.. = 0.2-2 and temperatures of 25-46/sup 0/C. To exclude the reverse reaction, (3-6).10/sup -2/ M (NH/sub 4/)/sub 2/S/sub 2/O/sub 8/, which rapidly oxidizes Fe(II), was added to the solution. The possible oxidation of Np(V) to Np(VI) was prevented by the addition of small quantities of N/sub 2/H/sub 4/. It was shown that the reaction rate is described by the equation -d(Np(IV))/dt=k(Np(IV))(Fe(III))/(H/sup +/)/sup 3/. where k = 0.490 +- 0.026 M/sup 2/.min/sup -1/ at 25/sup 0/ and ..mu.. = 1. The No/sub 3//sup -/ ions inhibit the reaction in the interval (NO/sub 3//sup -/) = 0-1 M and do not influence it at (NO/sub 3//sup -/) > 1 M. On the basis of an investigation of the dependence of k on the temperature, the energy (E = 32.5 kcal/mole), free energy (..delta..F* = 20.3 kcal/mole), and entropy (..delta..S* = 39 entropy units) of activation of the reaction were calculated. The reaction mechanism is discussed.

Multifragment emission times in Xe induced reactions

Energy Technology Data Exchange (ETDEWEB)

Moroni, A. [INFN and Dipartimento di Fisica, Via Celoria 16, 20133 Milano (Italy); Bowman, D.R. [AECL Research, Chalk River Laboratories, Chalk River, Ont. (Canada); Bruno, M. [Dipartimento di Fisica and INFN, Via Irnerio 46, 40126 Bologna (Italy); Buttazzo, P. [Dipartimento di Fisica and INFN, Via A. Valerio 2, 34127 Trieste (Italy); Celano, L. [INFN, Via Amendola 173, 70126 Bari (Italy); Colonna, N. [INFN, Via Amendola 173, 70126 Bari (Italy); D`Agostino, M. [Dipartimento di Fisica and INFN, Via Irnerio 46, 40126 Bologna (Italy); Dinius, J.D. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Ferrero, A. [INFN and Dipartimento di Fisica, Via Celoria 16, 20133 Milano (Italy); Fiandri, M.L. [Dipartimento di Fisica and INFN, Via Irnerio 46, 40126 Bologna (Italy); Gelbke, K. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Glasmacher, T. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Gramegna, F. [INFN Laboratori Nazionali di Legnaro, Via Romea 4, 35020 Legnaro (Italy); Handzy, D.O. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Horn, D. [AECL Research, Chalk River Laboratories, Chalk River, Ont. (Canada); Hsi Wenchien [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Huang, M. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Iori, I. [INFN and Dipartimento di Fisica, Via Celoria 16, 20133 Milano (Italy); Lisa, M. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Lynch, W.G. [NSCL, Michigan State University, E. Lansing, 48824 MI (United States); Margagliotti, G.V. [Dipartimento di Fisica and INFN, Via A. Valerio 2, 34127 Trieste (Italy); Mastinu, P.F. [Dipartimento di Fisica and INFN, Via Irnerio 46, 40126 Bologna (Italy); Milazzo, P.M. [Dipartimento di Fisica and INFN, Via Irnerio 46, 40126 Bologna (Italy); Montoya, C.

1995-02-06

Multifragment emission is studied in {sup 129}Xe+{sup nat}Cu reactions. The emission process for central collisions occurs on a time scale of similar 200fm/c at 30MeV/n. Intermediate-mass-fragment yields, velocity correlation functions and emission velocities of Z=6 fragments are compared with predictions of statistical decay models. ((orig.)).

Investigation on the Effect of Addition of Fe3+ Ion into the Colloidal AgNPs in PVA Solution and Understanding Its Reaction Mechanism

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Roto Roto

2017-11-01

Full Text Available Analysis of Fe3+ ion present in aqueous solutions is always of interests. Recently, this ion has been analyzed by colorimetric methods using colloid of silver nanoparticles (AgNPs in capping agents of polymers. The reaction mechanism between AgNPs and Fe3+ is still subject to the further investigation. In this work, 1,10-phenanthroline was used to probe the reaction mechanism between AgNPs and Fe3+ ion in the solution. The colloids of AgNPs were prepared in the polyvinyl alcohol (PVA solution and reacted with Fe3+. The colloid surface plasmon absorbance decreases linearly along with the increase in Fe3+ concentration. The addition of 1,10-phenanthroline to mixture changes the solution to red, indicating that the reaction produces Fe2+. This suggests that the reduction of the AgNPs absorbance is the result of oxidation of the Ag nanoparticles along with the reduction of Fe3+.

Suppression of interfacial reactions between Li4Ti5O12 electrode and electrolyte solution via zinc oxide coating

International Nuclear Information System (INIS)

Han, Cuiping; He, Yan-Bing; Li, Hongfei; Li, Baohua; Du, Hongda; Qin, Xianying; Kang, Feiyu

2015-01-01

Graphical abstract: The Li 4 Ti 5 O 12 (LTO) based batteries have severe gassing behavior due to the strong interfacial reactions between LTO and the electrolyte solution, which hampers the practical application of LTO in high power LIBs. The ZnO coating on LTO particles as a barrier layer can effectively suppress the interfacial reactions between LTO and the electrolyte solution. Simultaneously, the ZnO coating significantly reduces the charge-transfer resistance and increases the lithium ion diffusion coefficient, which leads to great improvement of rate and cyclic performance of LTO electrode. - Highlights: • A ZnO coating layer was constructed on the LTO particles by a chemical process as a barrier layer between LTO and surrounding electrolyte solution. • The ZnO coating can effectively stabilize the electrode/electrolyte interface and suppress interfacial reactions between LTO and electrolyte solution. • The ZnO coating can improve the electronic conductivity and lithium ion diffusion coefficient, which contributes to a great improvement in cyclic and high rate capabilities of LTO electrode. • The ZnO coating on LTO may be an effective method to solve the gassing behavior of LTO based battery and promote its wide application in lithium ion power battery. - Abstract: Li 4 Ti 5 O 12 (LTO) based batteries have severe gassing behavior during charge/discharge and storage process. The interfacial reactions between LTO and electrolyte solution may be the main reason. In this work, the LTO spinel particles are modified with ZnO coating using a chemical process to reduce the surface reactivity of LTO particles. Results show that the ZnO coating can effectively stabilize the electrode/electrolyte interface and suppress the formation of a solid electrolyte interface (SEI) film. Simultaneously, this ZnO modification can improve the electronic conductivity and lithium ion diffusion coefficient, which contributes to a great improvement in cyclic and high rate

Delta-electron spectroscopy: An aid for the determination of reaction times in heavy ion reactions

International Nuclear Information System (INIS)

Skapa, H.

1983-01-01

For the systems I->Au and I->Bi at an incident energy of 6.2 MeV/u (I->Au) and 6.6 MeV/u (I->Bi) the emission probability of delta electrons was determined. In an energy range from 150 KeV to 1000 KeV electrons were spectroscoped in coincidence to elastically, quasielastically, and deep inelastically scattered ions. In deep inelastic reaction between reaction products with high and without a mean mass drift was discriminated. The contribution of the conversion electrons, determined from gamma spectra, extends in the range of deep inelastic reactions of about 60%. While the ratio of conversion electrons for deep inelastic events with large to such without mass drift shows a flat, monotoneous growth for the ratio of the measured emission probabilities a oscillation-like structure with about 400 KeV width results. An interpretation of this structure as interference effect by nuclear time delay yields for the case of large mass drift a nuclear retention time of 7.5 x 10 -21 s. (orig./HSI) [de

Characterization of Titanium Oxide Nanoparticles Obtained by Hydrolysis Reaction of Ethylene Glycol Solution of Alkoxide

Directory of Open Access Journals (Sweden)

Naofumi Uekawa

2012-01-01

Full Text Available Transparent and stable sols of titanium oxide nanoparticles were obtained by heating a mixture of ethylene glycol solution of titanium tetraisopropoxide (TIP and a NH3 aqueous solution at 368 K for 24 h. The concentration of NH3 aqueous solution affected the structure of the obtained titanium oxide nanoparticles. For NH3 aqueous solution concentrations higher than 0.2 mol/L, a mixture of anatase TiO2 nanoparticles and layered titanic acid nanoparticles was obtained. The obtained sol was very stable without formation of aggregated precipitates and gels. Coordination of ethylene glycol to Ti4+ ions inhibited the rapid hydrolysis reaction and aggregation of the obtained nanoparticles. The obtained titanium oxide nanoparticles had a large specific surface area: larger than 350 m2/g. The obtained titanium oxide nanoparticles showed an enhanced adsorption towards the cationic dye molecules. The selective adsorption corresponded to presence of layered titanic acid on the obtained anatase TiO2 nanoparticles.

Characterization of Titanium Oxide Nanoparticles Obtained by Hydrolysis Reaction of Ethylene Glycol Solution of Alkoxide

International Nuclear Information System (INIS)

Uekawa, N.; Endo, N.; Ishii, K.; Kojima, T.; Kakegawa, K.

2012-01-01

Transparent and stable sols of titanium oxide nanoparticles were obtained by heating a mixture of ethylene glycol solution of titanium tetraisopropoxide (TIP) and a NH 3 aqueous solution at 368 K for 24 h. The concentration of NH 3 aqueous solution affected the structure of the obtained titanium oxide nanoparticles. For NH 3 aqueous solution concentrations higher than 0.2 mol/L, a mixture of anatase TiO 2 nanoparticles and layered titanic acid nanoparticles was obtained. The obtained sol was very stable without formation of aggregated precipitates and gels. Coordination of ethylene glycol to Ti4+ ions inhibited the rapid hydrolysis reaction and aggregation of the obtained nanoparticles. The obtained titanium oxide nanoparticles had a large specific surface area: larger than 350 m2/g. The obtained titanium oxide nanoparticles showed an enhanced adsorption towards the cationic dye molecules. The selective adsorption corresponded to presence of layered titanic acid on the obtained anatase TiO 2 nanoparticles.

Stationary solution of a time dependent density matrix formalism

International Nuclear Information System (INIS)

Tohyama, Mitsuru

1994-01-01

A stationary solution of a time-dependent density-matrix formalism, which is an extension of the time-dependent Hartree-Fock theory to include the effects of two-body correlations, is obtained for the Lipkin model hamiltonian, using an adiabatic treatment of the two-body interaction. It is found that the obtained result is a reasonable approximation for the exact solution of the model. (author)

Time asymmetry: Polarization and analyzing power in the nuclear reactions

Energy Technology Data Exchange (ETDEWEB)

Rioux, C.; Roy, R.; Slobodrian, R.J. (Laval Univ., Quebec City (Canada). Lab. de Physique Nucleaire); Conzett, H.E. (California Univ., Berkeley (USA). Lawrence Berkeley Lab.)

1983-02-28

Measurements of the proton polarization in the reactions /sup 7/Li(/sup 3/He, p vector)/sup 9/Be and /sup 9/Be(/sup 3/He, p vector)/sup 11/B and of the analyzing powers of the inverse reactions, initiated by polarized protons at the same c.m. energies, show significant differences which imply the failure of the polarization-analyzing-power theorem and, prima facie, of time-reversal invariance in these reactions. The reaction /sup 2/H(/sup 3/He, p vector)/sup 4/ He and its inverse have also been investigated and show some smaller differences. A discussion of the instrumental asymmetries is presented.

Selected specific rates of reactions of transients from water in aqueous solution. III. Hydroxyl radical and perhydroxyl radical and their radical ions

Energy Technology Data Exchange (ETDEWEB)

Ross, F; Ross, A B

1977-01-01

Rates of reactions of OH and HO/sub 2/ with organic and inorganic molecules, ions and transients in aqueous solution have been tabulated, as well as the rates for the corresponding radical ions in aqueous solution (O/sup -/ and O/sub 2//sup -/). Most of the rates have been obtained by radiation chemistry methods, both pulsed and steady-state; data from photochemistry and thermal methods are also included. Rates for over one thousand reactions are listed.

Effect of the raw material type and the reaction time on the synthesis of halloysite based Zeolite Na-P1

Directory of Open Access Journals (Sweden)

Mahdi Meftah

Full Text Available Zeolites are currently one of the most important classes of inorganic materials because of their multiple applications not only as ions exchangers and molecular sieves, but also as catalysts. This works focus the synthesis and the characterization of Zeolite Na-P1 using halloysite (collected near Ain Khemouda, western Tunisia as the starting material. Two parameters, such as the host materials type (natural or treated and the reaction time, involved in the synthesis process are investigated. The intermediate phases and final products were characterized by X-ray diffraction, Infrared IR spectroscopy, scanning electron microscopy and high-resolution 29Si and 27Al MAS NMR. Obtained results show that the hydrothermal synthesis from natural and heated-halloysite leads to formation of homogenous Zeolite Na-P1. The difference in the crystallization/transformation time process is explained by the effect of the dissolution rate of the starting materials in sodium hydroxide solution. In the case of heated halloysite, the synthesis reaction with alkali solution occurs very readily and achieved without prior thermal activation at high temperature. The optimal conditions of Zeolite Na-P1 crystallization, from heated-halloysite, are reached at 120 °C. Keywords: Zeolite Na-P1, Halloysite, X-ray, FTIR spectroscopy, SEM, 29Si and 27Al MAS NMR spectroscopy

Neutron Scattering in Hydrogenous Moderators, Studied by Time Dependent Reaction Rate Method

Energy Technology Data Exchange (ETDEWEB)

Larsson, L G; Moeller, E; Purohit, S N

1966-03-15

The moderation and absorption of a neutron burst in water, poisoned with the non-1/v absorbers cadmium and gadolinium, has been followed on the time scale by multigroup calculations, using scattering kernels for the proton gas and the Nelkin model. The time dependent reaction rate curves for each absorber display clear differences for the two models, and the separation between the curves does not depend much on the absorber concentration. An experimental method for the measurement of infinite medium reaction rate curves in a limited geometry has been investigated. This method makes the measurement of the time dependent reaction rate generally useful for thermalization studies in a small geometry of a liquid hydrogenous moderator, provided that the experiment is coupled to programs for the calculation of scattering kernels and time dependent neutron spectra. Good agreement has been found between the reaction rate curve, measured with cadmium in water, and a calculated curve, where the Haywood kernel has been used.

Quantum mechanical study of solvent effects in a prototype SN2 reaction in solution: Cl- attack on CH3Cl.

Science.gov (United States)

Kuechler, Erich R; York, Darrin M

2014-02-07

The nucleophilic attack of a chloride ion on methyl chloride is an important prototype SN2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resulting free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.

Closed form solutions of two time fractional nonlinear wave equations

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M. Ali Akbar

2018-06-01

Full Text Available In this article, we investigate the exact traveling wave solutions of two nonlinear time fractional wave equations. The fractional derivatives are described in the sense of conformable fractional derivatives. In addition, the traveling wave solutions are accomplished in the form of hyperbolic, trigonometric, and rational functions involving free parameters. To investigate such types of solutions, we implement the new generalized (G′/G-expansion method. The extracted solutions are reliable, useful and suitable to comprehend the optimal control problems, chaotic vibrations, global and local bifurcations and resonances, furthermore, fission and fusion phenomena occur in solitons, the relativistic energy-momentum relation, scalar electrodynamics, quantum relativistic one-particle theory, electromagnetic interactions etc. The results reveal that the method is very fruitful and convenient for exploring nonlinear differential equations of fractional order treated in theoretical physics. Keywords: Traveling wave solution, Soliton, Generalized (G′/G-expansion method, Time fractional Duffing equation, Time fractional Riccati equation

Free Br atom and free radical reactions in the radiolysis of 1,2 dibromoethane (DBE) in air free aqueous solutions

International Nuclear Information System (INIS)

Lal, Manohar

1986-01-01

G(Br - ) have been reported in the free radical degradation of 1,2 DBE in Ar - and N 2 O-saturated solutions. It is clear from the results that a small chain reaction occurs, t-butanol radical reacts with 1,2 DBE to give Br - . At pH 12.3, high (Br - ) are attributed to another chain reaction involving O - radical anion. Dose rate studies confirm the occurrence of chain reaction. (author). 5 refs

Kinetics of the rapid reaction Br/sub 2/ + 2 I/sup -/. -->. I/sub 2/ + 2 Br/sup -/ in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Rao, T S; Mali, S I; Dangat, V T [Presidency Coll., Calcutta (India). Dept. of Chemistry

1979-01-01

The displacement of iodine from aqueous iodide ion solutions by bromine is a rapid reaction whose kinetics has been studied by the competition technique. The reaction is of second order, having a specific rate of 6.85 x 10/sup 5/ M/sup -1/ s/sup -1/ at 25.0 /sup 0/C and energy of activation of 30.8 kJ mol/sup -1/. A mechanism for the reaction is proposed.

New family of simple solutions of relativistic perfect fluid hydrodynamics

International Nuclear Information System (INIS)

Csoergo, T.; Nagy, M.I.; Csanad, M.

2008-01-01

A new class of accelerating, exact and explicit solutions of relativistic hydrodynamics is found-more than 50 years after the previous similar result, the Landau-Khalatnikov solution. Surprisingly, the new solutions have a simple form, that generalizes the renowned, but accelerationless, Hwa-Bjorken solution. These new solutions take into account the work done by the fluid elements on each other, and work not only in one temporal and one spatial dimensions, but also in arbitrary number of spatial dimensions. They are applied here for an advanced estimation of initial energy density and life-time of the reaction in ultra-relativistic heavy ion collisions. New formulas are also conjectured, that yield further important increase of the initial energy density estimate and the measured life-time of the reaction if the value of the speed of sound is in the realistic range

Mechanism to preserve phrenic nerve function during photosensitization reaction: drug uptake and photosensitization reaction effect on electric propagation

Science.gov (United States)

Takahashi, Haruka; Hamada, Risa; Ogawa, Emiyu; Arai, Tsunenori

2018-02-01

To study a mechanism of phrenic nerve preservation phenomena during a photosensitization reaction, we investigated an uptake of talaporfin sodium and photosensitization reaction effect on an electric propagation. Right phrenic nerve was completely preserved after superior vena cava isolations using the photosensitization reaction in canine animal experiments, in spite of adjacent myocardium was electrically blocked. We predicted that low drug uptake and/or low photosensitization reaction effect on the nerve might be a mechanism of that phenomena. To investigate uptake to various nerve tissue, a healthy extracted crayfish ventral nerve cord and an extracted porcine phrenic nerve were immersed in 20 μg/ml talaporfin sodium solution for 0-240 min. The mean talaporfin sodium fluorescence brightness increased depending on the immersion time. This brightness saturated around the immersion time of 120 min. We found that talaporfin sodium uptake inside the perineurium which directly related to the electric propagation function was lower than that of outside in the porcine phrenic nerve. To investigate photosensitization reaction effect on electric propagation, the crayfish nerve was immersed into the same solution for 15 min and irradiated by a 663 nm laser light with 120 mW/cm2. Since we found the action potential disappeared when the irradiation time was 25-65 s, we consider that the crayfish nerve does not tolerant to the photosensitization reaction on electric propagation function at atmospheric pressure. From these results, we think that the low uptake of talaporfin sodium inside the perineurium and low oxygen partial pressure of nerve might be the possible mechanism to preserve phrenic nerve in vivo.

Isotopic exchange reaction between barium ion and tri barium phosphate

International Nuclear Information System (INIS)

Bilgin, G.B.; Cetin, I.

1982-01-01

Heterogeneous exchange reaction of tri barium phosphate in barium chloride solution has been studied using 133 Ba as a tracer. The results show that the exchange fraction increases as barium chloride concentration increases for different mole ratio of the exchange ion on the solid surface and in the solution. The phenomenon was studied with respect to the previous treatment of the precipitate leading to different crystal sizes and the effect of reaction time. (author)

Reaction of a phospholipid monolayer with gas-phase ozone at the air-water interface: measurement of surface excess and surface pressure in real time.

Science.gov (United States)

Thompson, Katherine C; Rennie, Adrian R; King, Martin D; Hardman, Samantha J O; Lucas, Claire O M; Pfrang, Christian; Hughes, Brian R; Hughes, Arwel V

2010-11-16

The reaction between gas-phase ozone and monolayers of the unsaturated lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, POPC, on aqueous solutions has been studied in real time using neutron reflection and surface pressure measurements. The reaction between ozone and lung surfactant, which contains POPC, leads to decreased pulmonary function, but little is known about the changes that occur to the interfacial material as a result of oxidation. The results reveal that the initial reaction of ozone with POPC leads to a rapid increase in surface pressure followed by a slow decrease to very low values. The neutron reflection measurements, performed on an isotopologue of POPC with a selectively deuterated palmitoyl strand, reveal that the reaction leads to loss of this strand from the air-water interface, suggesting either solubilization of the product lipid or degradation of the palmitoyl strand by a reactive species. Reactions of (1)H-POPC on D(2)O reveal that the headgroup region of the lipids in aqueous solution is not dramatically perturbed by the reaction of POPC monolayers with ozone supporting degradation of the palmitoyl strand rather than solubilization. The results are consistent with the reaction of ozone with the oleoyl strand of POPC at the air-water interface leading to the formation of OH radicals. The highly reactive OH radicals produced can then go on to react with the saturated palmitoyl strands leading to the formation of oxidized lipids with shorter alkyl tails.

Electron transfer reactions of metal complexes in solution

International Nuclear Information System (INIS)

Sutin, N.

1977-01-01

A few representative electron-transfer reactions are selected and their kinetic parameters compared with the predictions of activated complex models. Since Taube has presented an elegant treatment of intramolecular electron-transfer reactions, emphasis is on bimolecular reactions. The latter electron-transfer reactions are more complicated to treat theoretically since the geometries of their activated complexes are not as well known as for the intramolecular case. In addition in biomolecular reactions, the work required to bring the two reactants together needs to be calculated. Since both reactants generally carry charges this presents a non-trivial problem at the ionic strengths usually used to study bimolecular electron transfer

Effect of dual task activity on reaction time in males and females.

Science.gov (United States)

Kaur, Manjinder; Nagpal, Sangeeta; Singh, Harpreet; Suhalka, M L

2014-01-01

The present study was designed to compare the auditory and visual reaction time on an Audiovisual Reaction Time Machine with the concomitant use of mobile phones in 52 women and 30 men in the age group of 18-40 years. Males showed significantly (p multitasking, in hand held (24.38% & 18.70% respectively) and hands free modes (36.40% & 18.40% respectively) of the use of cell phone. VRT increased non significantly during multitasking in both the groups. However, the multitasking per se has detrimental effect on the reaction times in both the groups studied. Hence, it should best be avoided in crucial and high attention demanding tasks like driving.

A parametric LTR solution for discrete-time systems

DEFF Research Database (Denmark)

Niemann, Hans Henrik; Jannerup, Ole Erik

1989-01-01

A parametric LTR (loop transfer recovery) solution for discrete-time compensators incorporating filtering observers which achieve exact recovery is presented for both minimum- and non-minimum-phase systems. First the recovery error, which defines the difference between the target loop transfer...... and the full loop transfer function, is manipulated into a general form involving the target loop transfer matrix and the fundamental recovery matrix. A parametric LTR solution based on the recovery matrix is developed. It is shown that the LQR/LTR (linear quadratic Gaussian/loop transfer recovery) solution...

Caffeine Reduces Reaction Time and Improves Performance in Simulated-Contest of Taekwondo

Science.gov (United States)

Santos, Victor G. F.; Santos, Vander R. F.; Felippe, Leandro J. C.; Almeida, Jose W.; Bertuzzi, Rômulo; Kiss, Maria A. P. D. M.; Lima-Silva, Adriano E.

2014-01-01

The aim of this study was to investigate the effects of caffeine on reaction time during a specific taekwondo task and athletic performance during a simulated taekwondo contest. Ten taekwondo athletes ingested either 5 mg·kg−1 body mass caffeine or placebo and performed two combats (spaced apart by 20 min). The reaction-time test (five kicks “Bandal Tchagui”) was performed immediately prior to the first combat and immediately after the first and second combats. Caffeine improved reaction time (from 0.42 ± 0.05 to 0.37 ± 0.07 s) only prior to the first combat (P = 0.004). During the first combat, break times during the first two rounds were shorter in caffeine ingestion, followed by higher plasma lactate concentrations compared with placebo (P = 0.029 and 0.014, respectively). During the second combat, skipping-time was reduced, and relative attack times and attack/skipping ratio was increased following ingestion of caffeine during the first two rounds (all P Caffeine resulted in no change in combat intensity parameters between the first and second combat (all P > 0.05), but combat intensity was decreased following placebo (all P caffeine reduced reaction time in non-fatigued conditions and delayed fatigue during successive taekwondo combats. PMID:24518826

Investigating the combined effects of heat and lighting on students reaction time in laboratory condition

Directory of Open Access Journals (Sweden)

Zohre Mohebian

2016-12-01

Full Text Available Introduction: In many workplaces there is exposure to heat and light simultaneously. This study investigated the combined effect of heat and lighting on some cognitive performance, i.e. reaction time. Methodology: the present semi-experimental study was conducted 2015 on 33 healthy students (16 girls and 17 boys with a mean age of 22.1 in the thermal stress chamber. The reaction time parameter by the reaction time measurement device, after exposure to different heat surfaces (dry temperatures 22 °C and 37 °C and lighting surfaces (200, 500 and 1500 lux. Data were analyzed using ANOVA test in SPSS-20. Results: The results showed that the average simple, diagnostic, two-color selective, two-sound selective reaction times and reaction time error increased after combined exposure to heat and lighting and showed a significant difference (P<0.05. The maximum score of reaction time belong to temperature of 37 c° and lighting of 1500 lux, the minimum score of reaction time belong to temperature of 22 °c and lighting of 1500 lux.

REACT-Mod: a mathematical model for transient calculation of chemical reactions with U-Pu-Np-Tc in the aqueous nitric acid solution

International Nuclear Information System (INIS)

Tachimori, Shoichi; Kitamura, Tatsuaki.

1996-10-01

A computer code REACT-Mod which simulates various chemical reactions in an aqueous nitric acid solution involving uranium, plutonium, neptunium, technetium etc. e.g., redox, radiolytic and disproportionation reactions of 68, was developed based on the kinetics model. The numerical solution method adopted in the code are two, a kinetics model totally based on the rate law of which differential equations are solved by the modified Porsing method, and a two-step model based on both the rate law and equilibrium law. Only the former treats 27 radiolytic reactions. The latter is beneficially used to have a quick and approximate result by economical computation. The present report aims not only to explain the concept, chemical reactions treated and characteristics of the model but also to provide details of the program for users of the REACT-Mod code. (author)

From analytical solutions of solute transport equations to multidimensional time-domain random walk (TDRW) algorithms

Science.gov (United States)

Bodin, Jacques

2015-03-01

In this study, new multi-dimensional time-domain random walk (TDRW) algorithms are derived from approximate one-dimensional (1-D), two-dimensional (2-D), and three-dimensional (3-D) analytical solutions of the advection-dispersion equation and from exact 1-D, 2-D, and 3-D analytical solutions of the pure-diffusion equation. These algorithms enable the calculation of both the time required for a particle to travel a specified distance in a homogeneous medium and the mass recovery at the observation point, which may be incomplete due to 2-D or 3-D transverse dispersion or diffusion. The method is extended to heterogeneous media, represented as a piecewise collection of homogeneous media. The particle motion is then decomposed along a series of intermediate checkpoints located on the medium interface boundaries. The accuracy of the multi-dimensional TDRW method is verified against (i) exact analytical solutions of solute transport in homogeneous media and (ii) finite-difference simulations in a synthetic 2-D heterogeneous medium of simple geometry. The results demonstrate that the method is ideally suited to purely diffusive transport and to advection-dispersion transport problems dominated by advection. Conversely, the method is not recommended for highly dispersive transport problems because the accuracy of the advection-dispersion TDRW algorithms degrades rapidly for a low Péclet number, consistent with the accuracy limit of the approximate analytical solutions. The proposed approach provides a unified methodology for deriving multi-dimensional time-domain particle equations and may be applicable to other mathematical transport models, provided that appropriate analytical solutions are available.

Traveling wave solutions for reaction-diffusion systems

DEFF Research Database (Denmark)

Lin, Zhigui; Pedersen, Michael; Tian, Canrong

2010-01-01

This paper is concerned with traveling waves of reaction–diffusion systems. The definition of coupled quasi-upper and quasi-lower solutions is introduced for systems with mixed quasimonotone functions, and the definition of ordered quasi-upper and quasi-lower solutions is also given for systems...... with quasimonotone nondecreasing functions. By the monotone iteration method, it is shown that if the system has a pair of coupled quasi-upper and quasi-lower solutions, then there exists at least a traveling wave solution. Moreover, if the system has a pair of ordered quasi-upper and quasi-lower solutions...

A multi scale approximation solution for the time dependent Boltzmann-transport equation

International Nuclear Information System (INIS)

Merk, B.

2004-03-01

The basis of all transient simulations for nuclear reactor cores is the reliable calculation of the power production. The local power distribution is generally calculated by solving the space, time, energy and angle dependent neutron transport equation known as Boltzmann equation. The computation of exact solutions of the Boltzmann equation is very time consuming. For practical numerical simulations approximated solutions are usually unavoidable. The objective of this work is development of an effective multi scale approximation solution for the Boltzmann equation. Most of the existing methods are based on separation of space and time. The new suggested method is performed without space-time separation. This effective approximation solution is developed on the basis of an expansion for the time derivative of different approximations to the Boltzmann equation. The method of multiple scale expansion is used for the expansion of the time derivative, because the problem of the stiff time behaviour can't be expressed by standard expansion methods. This multiple scale expansion is used in this work to develop approximation solutions for different approximations of the Boltzmann equation, starting from the expansion of the point kinetics equations. The resulting analytic functions are used for testing the applicability and accuracy of the multiple scale expansion method for an approximation solution with 2 delayed neutron groups. The results are tested versus the exact analytical results for the point kinetics equations. Very good agreement between both solutions is obtained. The validity of the solution with 2 delayed neutron groups to approximate the behaviour of the system with 6 delayed neutron groups is demonstrated in an additional analysis. A strategy for a solution with 4 delayed neutron groups is described. A multiple scale expansion is performed for the space-time dependent diffusion equation for one homogenized cell with 2 delayed neutron groups. The result is

Poststimulation time interval-dependent effects of motor cortex anodal tDCS on reaction-time task performance.

Science.gov (United States)

Molero-Chamizo, Andrés; Alameda Bailén, José R; Garrido Béjar, Tamara; García López, Macarena; Jaén Rodríguez, Inmaculada; Gutiérrez Lérida, Carolina; Pérez Panal, Silvia; González Ángel, Gloria; Lemus Corchero, Laura; Ruiz Vega, María J; Nitsche, Michael A; Rivera-Urbina, Guadalupe N

2018-02-01

Anodal transcranial direct current stimulation (tDCS) induces long-term potentiation-like plasticity, which is associated with long-lasting effects on different cognitive, emotional, and motor performances. Specifically, tDCS applied over the motor cortex is considered to improve reaction time in simple and complex tasks. The timing of tDCS relative to task performance could determine the efficacy of tDCS to modulate performance. The aim of this study was to compare the effects of a single session of anodal tDCS (1.5 mA, for 15 min) applied over the left primary motor cortex (M1) versus sham stimulation on performance of a go/no-go simple reaction-time task carried out at three different time points after tDCS-namely, 0, 30, or 60 min after stimulation. Performance zero min after anodal tDCS was improved during the whole course of the task. Performance 30 min after anodal tDCS was improved only in the last block of the reaction-time task. Performance 60 min after anodal tDCS was not significantly different throughout the entire task. These findings suggest that the motor cortex excitability changes induced by tDCS can improve motor responses, and these effects critically depend on the time interval between stimulation and task performance.

Structure and reactivity of thiazolium azo dyes: UV-visible, resonance Raman, NMR, and computational studies of the reaction mechanism in alkaline solution.

Science.gov (United States)

Abbott, Laurence C; Batchelor, Stephen N; Moore, John N

2013-03-07

UV-visible absorption, resonance Raman, and (1)H NMR spectroscopy, allied with density functional theory (DFT) calculations, have been used to study the structure, bonding, and alkaline hydrolysis mechanism of the cationic thiazloium azo dye, 2-[2-[4-(diethylamino)phenyl]diazenyl]-3-methyl-thiazolium (1a), along with a series of six related dyes with different 4-dialkylamino groups and/or other phenyl ring substituents (2a-c, 3a-c) and the related isothiazolium azo dye, 5-[2-[4-(dimethylamino)phenyl]diazenyl]-2-methyl-isothiazolium (4). These diazahemicyanine dyes are calculated to have a similar low-energy structure that is cis, trans at the (iso)thiazolium-azo group, and for which the calculated Raman spectra provide a good match with the experimental data; the calculations on these structures are used to assign and discuss the transitions giving rise to the experimental spectra, and to consider the bonding and its variation between the dyes. UV-visible, Raman, and NMR spectra recorded from minutes to several weeks after raising the pH of an aqueous solution of 1a to ca. 11.5 show that the dominant initial step in the reaction is loss of diethylamine to produce a quinonimine (ca. hours), with subsequent reactions occurring on longer time scales (ca. days to weeks); kinetic analyses give a rate constant of 2.6 × 10(-2) dm(3) mol(-1) s(-1) for reaction of 1a with OH(-). UV-visible spectra recorded on raising the pH of the other dyes in solution show similar changes that are attributed to the same general reaction mechanism, but with different rate constants for which the dependence on structure is discussed.

High luminescent L-cysteine capped CdTe quantum dots prepared at different reaction times

Science.gov (United States)

Kiprotich, Sharon; Onani, Martin O.; Dejene, Francis B.

2018-04-01

This paper reports a facile synthesis route of high luminescent L-cysteine capped CdTe quantum dots (QDs). The effect of reaction time on the growth mechanism, optical and physical properties of the CdTe QDs was investigated in order to find the suitability of them towards optical and medical applications. The representative high-resolution transmission microscopy (HRTEM) analysis showed that the as-obtained CdTe QDs appeared as spherical particles with excellent monodispersity. The images exhibited clear lattice fringes which are indicative of good crystallinity. The X-ray diffraction (XRD) pattern displayed polycrystalline nature of the QDs which correspond well to zinc blende phase of bulk CdTe. The crystallite sizes calculated from the Scherrer equation were less than 10 nm for different reaction times which were in close agreement with the values estimated from HRTEM. An increase in reaction time improved crystallinity of the sample as explained by highest peak intensity of the XRD supported by the photoluminescence emission spectra which showed high intensity at a longer growth time. It was observed that for prolonged growth time the emission bands were red shifted from about 517-557 nm for 5-180 min of reaction time due to increase in particle sizes. Ultraviolet and visible analysis displayed well-resolved absorption bands which were red shifted upon an increase in reaction time. There was an inverse relation between the band gap and reaction time. Optical band gap decreases from 3.98 to 2.59 eV with the increase in reaction time from 15 to 180 min.

Continuous performance task in ADHD: Is reaction time variability a key measure?

Science.gov (United States)

Levy, Florence; Pipingas, Andrew; Harris, Elizabeth V; Farrow, Maree; Silberstein, Richard B

2018-01-01

To compare the use of the Continuous Performance Task (CPT) reaction time variability (intraindividual variability or standard deviation of reaction time), as a measure of vigilance in attention-deficit hyperactivity disorder (ADHD), and stimulant medication response, utilizing a simple CPT X-task vs an A-X-task. Comparative analyses of two separate X-task vs A-X-task data sets, and subgroup analyses of performance on and off medication were conducted. The CPT X-task reaction time variability had a direct relationship to ADHD clinician severity ratings, unlike the CPT A-X-task. Variability in X-task performance was reduced by medication compared with the children's unmedicated performance, but this effect did not reach significance. When the coefficient of variation was applied, severity measures and medication response were significant for the X-task, but not for the A-X-task. The CPT-X-task is a useful clinical screening test for ADHD and medication response. In particular, reaction time variability is related to default mode interference. The A-X-task is less useful in this regard.

Parameter estimation in IMEX-trigonometrically fitted methods for the numerical solution of reaction-diffusion problems

Science.gov (United States)

D'Ambrosio, Raffaele; Moccaldi, Martina; Paternoster, Beatrice

2018-05-01

In this paper, an adapted numerical scheme for reaction-diffusion problems generating periodic wavefronts is introduced. Adapted numerical methods for such evolutionary problems are specially tuned to follow prescribed qualitative behaviors of the solutions, making the numerical scheme more accurate and efficient as compared with traditional schemes already known in the literature. Adaptation through the so-called exponential fitting technique leads to methods whose coefficients depend on unknown parameters related to the dynamics and aimed to be numerically computed. Here we propose a strategy for a cheap and accurate estimation of such parameters, which consists essentially in minimizing the leading term of the local truncation error whose expression is provided in a rigorous accuracy analysis. In particular, the presented estimation technique has been applied to a numerical scheme based on combining an adapted finite difference discretization in space with an implicit-explicit time discretization. Numerical experiments confirming the effectiveness of the approach are also provided.

Exact solutions of space-time fractional EW and modified EW equations

International Nuclear Information System (INIS)

Korkmaz, Alper

2017-01-01

The bright soliton solutions and singular solutions are constructed for the space-time fractional EW and the space-time fractional modified EW (MEW) equations. Both equations are reduced to ordinary differential equations by the use of fractional complex transform (FCT) and properties of modified Riemann–Liouville derivative. Then, various ansatz method are implemented to construct the solutions for both equations.

Exact solutions of Fisher and Burgers equations with finite transport memory

International Nuclear Information System (INIS)

Kar, Sandip; Banik, Suman Kumar; Ray, Deb Shankar

2003-01-01

The Fisher and Burgers equations with finite memory transport, describing reaction-diffusion and convection-diffusion processes, respectively have recently attracted a lot of attention in the context of chemical kinetics, mathematical biology and turbulence. We show here that they admit exact solutions. While the speed of the travelling wavefront is dependent on the relaxation time in the Fisher equation, memory effects significantly smoothen out the shock wave nature of the Burgers solution, without any influence on the corresponding wave speed. We numerically analyse the ansatz for the exact solution and show that for the reaction-diffusion system the strength of the reaction term must be moderate enough not to exceed a critical limit to allow a travelling wave solution to exist for appreciable finite memory effect

Exact solutions of Fisher and Burgers equations with finite transport memory

CERN Document Server

Kar, S; Ray, D S

2003-01-01

The Fisher and Burgers equations with finite memory transport, describing reaction-diffusion and convection-diffusion processes, respectively have recently attracted a lot of attention in the context of chemical kinetics, mathematical biology and turbulence. We show here that they admit exact solutions. While the speed of the travelling wavefront is dependent on the relaxation time in the Fisher equation, memory effects significantly smoothen out the shock wave nature of the Burgers solution, without any influence on the corresponding wave speed. We numerically analyse the ansatz for the exact solution and show that for the reaction-diffusion system the strength of the reaction term must be moderate enough not to exceed a critical limit to allow a travelling wave solution to exist for appreciable finite memory effect.

Time-dependent--S-matrix Hartree-Fock theory of complex reactions

International Nuclear Information System (INIS)

Griffin, J.J.; Lichtner, P.C.; Dworzecka, M.

1980-01-01

Some limitations of the conventional time-dependent Hartree-Fock method for describing complex reactions are noted, and one particular ubiquitous defect is discussed in detail: the post-breakup spurious cross channel correlations which arise whenever several asymptotic reaction channels must be simultaneously described by a single determinant. A reformulated time-dependent--S-matrix Hartree-Fock theory is proposed, which obviates this difficulty. Axiomatic requirements minimal to assure that the time-dependent--S-matrix Hartree-Fock theory represents an unambiguous and physically interpretable asymptotic reaction theory are utilized to prescribe conditions upon the definition of acceptable asymptotic channels. That definition, in turn, defines the physical range of the time-dependent--S-matrix Hartree-Fock theory to encompass the collisions of mathematically well-defined ''time-dependent Hartree-Fock droplets.'' The physical properties of these objects then circumscribe the content of the Hartree-Fock single determinantal description. If their periodic vibrations occur for continuous ranges of energy then the resulting ''classical'' time-dependent Hartree-Fock droplets are seen to be intrinsically dissipative, and the single determinantal description of their collisions reduces to a ''trajectory'' theory which can describe the masses and relative motions of the fragments but can provide no information about specific asymptotic excited states beyond their constants of motion, or the average properties of the limit, if it exists, of their equilibrization process. If, on the other hand, the periodic vibrations of the time-dependent Hartree-Fock droplets are discrete in energy, then the time-dependent--S-matrix Hartree-Fock theory can describe asymptotically the time-average properties of the whole spectrum of such periodic vibrations

A multi-level quantum mechanics and molecular mechanics study of SN2 reaction at nitrogen: NH2Cl + OH(-) in aqueous solution.

Science.gov (United States)

Lv, Jing; Zhang, Jingxue; Wang, Dunyou

2016-02-17

We employed a multi-level quantum mechanics and molecular mechanics approach to study the reaction NH2Cl + OH(-) in aqueous solution. The multi-level quantum method (including the DFT method with both the B3LYP and M06-2X exchange-correlation functionals and the CCSD(T) method, and both methods with the aug-cc-pVDZ basis set) was used to treat the quantum reaction region in different stages of the calculation in order to obtain an accurate potential of mean force. The obtained free energy activation barriers at the DFT/MM level of theory yielded a big difference of 21.8 kcal mol(-1) with the B3LYP functional and 27.4 kcal mol(-1) with the M06-2X functional respectively. Nonetheless, the barrier heights become very close when shifted from DFT to CCSD(T): 22.4 kcal mol(-1) and 22.9 kcal mol(-1) at CCSD(T)(B3LYP)/MM and CCSD(T)(M06-2X)/MM levels of theory, respectively. The free reaction energy obtained using CCSD(T)(M06-2X)/MM shows an excellent agreement with the one calculated using the available gas-phase data. Aqueous solution plays a significant role in shaping the reaction profile. In total, the water solution contributes 13.3 kcal mol(-1) and 14.6 kcal mol(-1) to the free energy barrier heights at CCSD(T)(B3LYP)/MM and CCSD(T)(M06-2X)/MM respectively. The title reaction at nitrogen is a faster reaction than the corresponding reaction at carbon, CH3Cl + OH(-).

Investigations on the oxidation of nitric acid plutonium solutions with ozone

International Nuclear Information System (INIS)

Boehm, M.

1983-01-01

The reaction of ozone with nitric acid Pu solutions was studied as a function of reaction time, acid concentration and Pu concentration. Strong nitric acid Pu solutions are important in nuclear fuel element production and reprocessing. The Pu must be converted into hexavalent Pu before precipitation from the homogeneous solution together with uranium-IV, ammonia and CO 2 in the form of ammonium uranyl/plutonyl carbonate (AUPuC). Formation of a solid phase during ozonation was observed for the first time. The proneness to solidification increases with incrasing plutonium concentrations and with decreasing acid concentrations. If the formation of a solid phase during ozonation of nitric acid Pu solutions cannot be prevented, the PU-IV oxidation process described is unsuitable for industrial purposes as Pu solutions in industrial processes have much higher concentrations than the solutions used in the present investigation. (orig./EF) [de

Reaction Kinetics of Monomethylhydrazine With Nitrous Acid in Perchloric Acid Solution

International Nuclear Information System (INIS)

Wei Yan; Wang Hui; Pan Yongjun; Cong Haifeng; Jiao Haiyang; Jia Yongfen; Zheng Weifang

2009-01-01

The oxidation of monomethylhydrazine (MMH) by nitrous acid was researched in perchloric acid solution with spectrophotometry. The rate equation has been determined as follows: -dc (HNO 2 ) /dt= kc (H + ) 0.9 c (MMH) 1.1 c (HNO 2 ), k is (46.0 ± 2.7) L 2 / (mol 2 · s) with the initial perchlorate concentration of 0.50 mol/L at the temperature of 4.5 degree C. The corresponding activation energy of the reaction is (42.4 ± 0.1) kJ/mol. The results indicate that oxidation of mono-methylhydrazine (MMH) by nitrous acid is fast. The higher concentration of MMH can accelerate the reduction process of nitrous acid. Higher acidity can also speed up the reduction of nitrous acid. (authors)

Simulation of biochemical reactions with time-dependent rates by the rejection-based algorithm

Energy Technology Data Exchange (ETDEWEB)

Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research - University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research - University of Trento Centre for Computational and Systems Biology, Piazza Manifattura 1, Rovereto 38068 (Italy); Department of Mathematics, University of Trento, Trento (Italy)

2015-08-07

We address the problem of simulating biochemical reaction networks with time-dependent rates and propose a new algorithm based on our rejection-based stochastic simulation algorithm (RSSA) [Thanh et al., J. Chem. Phys. 141(13), 134116 (2014)]. The computation for selecting next reaction firings by our time-dependent RSSA (tRSSA) is computationally efficient. Furthermore, the generated trajectory is exact by exploiting the rejection-based mechanism. We benchmark tRSSA on different biological systems with varying forms of reaction rates to demonstrate its applicability and efficiency. We reveal that for nontrivial cases, the selection of reaction firings in existing algorithms introduces approximations because the integration of reaction rates is very computationally demanding and simplifying assumptions are introduced. The selection of the next reaction firing by our approach is easier while preserving the exactness.

Convection and reaction in a diffusive boundary layer in a porous medium: nonlinear dynamics.

Science.gov (United States)

Andres, Jeanne Therese H; Cardoso, Silvana S S

2012-09-01

We study numerically the nonlinear interactions between chemical reaction and convective fingering in a diffusive boundary layer in a porous medium. The reaction enhances stability by consuming a solute that is unstably distributed in a gravitational field. We show that chemical reaction profoundly changes the dynamics of the system, by introducing a steady state, shortening the evolution time, and altering the spatial patterns of velocity and concentration of solute. In the presence of weak reaction, finger growth and merger occur effectively, driving strong convective currents in a thick layer of solute. However, as the reaction becomes stronger, finger growth is inhibited, tip-splitting is enhanced and the layer of solute becomes much thinner. Convection enhances the mass flux of solute consumed by reaction in the boundary layer but has a diminishing effect as reaction strength increases. This nonlinear behavior has striking differences to the density fingering of traveling reaction fronts, for which stronger chemical kinetics result in more effective finger merger owing to an increase in the speed of the front. In a boundary layer, a strong stabilizing effect of reaction can maintain a long-term state of convection in isolated fingers of wavelength comparable to that at onset of instability.

Reactions of H-radicals with aromatic halogeno compounds in aqueous solutions

International Nuclear Information System (INIS)

Lichtscheidl, J.; Getoff, N.

1979-01-01

The spectroscopic and kinetic data of the short lived intermediates obtained by the attack of H-radicals on fluoro-, chloro-, bromobenzene, benzylchloride and phenethylchloride in aqueous solutions were studied by pulse radiolysis technique. The first three yield cyclohexadienylradicals (k equals 1-1.5 x 10 9 dm 3 mol -1 s -1 ) with chatacteristic absorption maxima in the region 220-330 nm. In the case of benzylchloride a quantitative abstraction of chlorine by the H-atoms is observed (k = 9.5 x 10 8 dm 3 mol -1 s -1 ) leading to the formation of the benzylradical (Λsub(max)=257, 303, 317.5 nm). The attack of H-atoms on phenethylchloride can occur on the aromatic ring forming also a cyclohexadienylradical (k = 2.0 x 10 9 dm 3 mol -1 s -1 , lambdasub(max)=317, 323 nm) as well as on the side chain (k = 1.5 x 10 8 dm 3 mol -1 s -1 ) yielding H 2 . The intermediates decay according to a second order reaction with k = 2 to 4.6 x 10 9 dm 3 mol -1 s -1 . To elucidate reaction mechanisms, steady state radiolysis experiments on the same systems were performed. (auth.)

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

International Nuclear Information System (INIS)

Guo, Ran; Du, Jiulin

2015-01-01

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

Energy Technology Data Exchange (ETDEWEB)

Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com

2015-08-15

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.

A Practical Solution for Time Synchronization in Wireless Sensor Networks

Directory of Open Access Journals (Sweden)

COCA, E.

2012-11-01

Full Text Available Time synchronization in wireless sensor node networks is a hot topic. Many papers present various software algorithms and hardware solutions to keep accurate time information on mobile nodes. In terms of real life applications wireless sensor nodes are preferred in many domains, starting with simple room monitoring and finishing with pipeline surveillance projects. Positioning applications are far more restrictive on timekeeping accuracy, as for the velocity of nodes calculations precise time or time difference values are needed. The accuracy of time information on nodes has to be always correlated with the application requirements. In this paper, we present some considerations regarding time synchronization linked with specific needs for individual practical applications. A practical low energy method of time keeping at node level is proposed and tested. The performances of the proposed solution in terms of short and long term stability and energy requirements are analyzed and compared with existing solutions. Simulation and experimental results, some advantages and disadvantages of the method are presented at the end of the paper.

A Real-Time Reaction Obstacle Avoidance Algorithm for Autonomous Underwater Vehicles in Unknown Environments.

Science.gov (United States)

Yan, Zheping; Li, Jiyun; Zhang, Gengshi; Wu, Yi

2018-02-02

A novel real-time reaction obstacle avoidance algorithm (RRA) is proposed for autonomous underwater vehicles (AUVs) that must adapt to unknown complex terrains, based on forward looking sonar (FLS). To accomplish this algorithm, obstacle avoidance rules are planned, and the RRA processes are split into five steps Introduction only lists 4 so AUVs can rapidly respond to various environment obstacles. The largest polar angle algorithm (LPAA) is designed to change detected obstacle's irregular outline into a convex polygon, which simplifies the obstacle avoidance process. A solution is designed to solve the trapping problem existing in U-shape obstacle avoidance by an outline memory algorithm. Finally, simulations in three unknown obstacle scenes are carried out to demonstrate the performance of this algorithm, where the obtained obstacle avoidance trajectories are safety, smooth and near-optimal.

Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules.

Science.gov (United States)

Ateshian, Gerard A; Nims, Robert J; Maas, Steve; Weiss, Jeffrey A

2014-10-01

Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio ( www.febio.org ). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the

An Exact Solution of the Gamma Ray Burst Arrival Time Analysis ...

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

An Exact Solution of the Gamma Ray Burst Arrival Time Analysis. Problem. S. Sinha ISRO Satellite Center, Bangalore 560 017, India. Abstract. An analytical solution of the GRB arrival time analysis is presented. The errors in the position of the GRB resulting from timing and position errors of different satellites are calculated.

Effect of Colour of Object on Simple Visual Reaction Time in Normal Subjects

Directory of Open Access Journals (Sweden)

Sunita B. Kalyanshetti

2014-01-01

Full Text Available The measure of simple reaction time has been used to evaluate the processing speed of CNS and the co-ordination between the sensory and motor systems. As the reaction time is influenced by different factors; the impact of colour of objects in modulating the reaction time has been investigated in this study. 200 healthy volunteers (female gender 100 and male gender100 of age group 18-25 yrs were included as subjects. The subjects were presented with two visual stimuli viz; red and green light by using an electronic response analyzer. Paired‘t’ test for comparison of visual reaction time for red and green colour in male gender shows p value<0.05 whereas in female gender shows p<0.001. It was observed that response latency for red colour was lesser than that of green colour which can be explained on the basis of trichromatic theory.

Administration of platelet concentrates suspended in bicarbonated Ringer's solution in children who had platelet transfusion reactions.

Science.gov (United States)

Kobayashi, J; Yanagisawa, R; Ono, T; Tatsuzawa, Y; Tokutake, Y; Kubota, N; Hidaka, E; Sakashita, K; Kojima, S; Shimodaira, S; Nakamura, T

2018-02-01

Adverse reactions to platelet transfusions are a problem. Children with primary haematological and malignant diseases may experience allergic transfusion reactions (ATRs) to platelet concentrates (PCs), which can be prevented by giving washed PCs. A new platelet additive solution, using bicarbonated Ringer's solution and acid-citrate-dextrose formula A (BRS-A), may be better for platelet washing and storage, but clinical data are scarce. A retrospective cohort study for consecutive cases was performed between 2013 and 2017. For 24 months, we transfused washed PCs containing BRS-A to children with primary haematological and malignant diseases and previous adverse reactions. Patients transfused with conventional PCs (containing residual plasma) were assigned as controls, and results were compared in terms of frequency of ATRs, corrected count increment (CCI) and occurrence of bleeding. We also studied children transfused with PCs washed by a different system as historical controls. Thirty-two patients received 377 conventional PC transfusions. ATRs occurred in 12 (37·5%) patients from transfused with 18 (4·8%) bags. Thirteen patients, who experienced reactions to regular PCs in plasma, then received 119 transfusion bags of washed PCs containing BRS-A, and none had ATRs to washed PCs containing BRS-A. Before study period, six patients transfused 137 classical washed PCs with different platelet additive solution, under same indication, ATRs occurred in one (16·7%) patient from transfused with one (0·7%) bags. CCIs (24 h) in were lower with classical washed PCs (1·26 ± 0·54) compared to regular PCs in plasma (2·07 ± 0·76) (P < 0·001), but there was no difference between washed PCs containing BRS-A (2·14 ± 0·77) and regular PCs (2·21 ± 0·79) (P = 0·769), and we saw no post-transfusion bleeding. Washed PCs containing BRS-A appear to prevent ATRs without loss of transfusion efficacy in children with primary haematological and malignant

A hetero retro Diels-Alder reaction in aqueous solution : A dramatic water-induced increase of the equilibrium constant and inhibition of cycloreversion

NARCIS (Netherlands)

Wijnen, J.W; Engberts, J.B.F.N.

The adduct of the Diels-Alder reaction of nitrosobenzene with cyclopentadiene is not stable in solution. The equilibrium constant for the reaction depends strongly on the medium and water induces a spectacular shift to the adduct. Comparison with the bimolecular addition of nitrosobenzene to

Traveling wave solutions of a biological reaction-convection-diffusion equation model by using $(G'/G$ expansion method

Directory of Open Access Journals (Sweden)

Shahnam Javadi

2013-07-01

Full Text Available In this paper, the $(G'/G$-expansion method is applied to solve a biological reaction-convection-diffusion model arising in mathematical biology. Exact traveling wave solutions are obtained by this method. This scheme can be applied to a wide class of nonlinear partial differential equations.

EFFECT OF CONTINUOUS CRYSTALLIZER PERFORMANCE ON STRUVITE CRYSTALS PRODUCED IN REACTION CRYSTALLIZATION FROM SOLUTIONS CONTAINING PHOSPHATE(V AND ZINC(II IONS

Directory of Open Access Journals (Sweden)

N. Hutnik

Full Text Available Abstract Continuous reaction crystallization of struvite from aqueous solutions containing phosphate(V (1.0 mass % and zinc(II ions (from 0.1 to 2.0 mg kg-1 in a continuous DT MSMPR crystallizer was investigated. The influence of pH (9 - 11 and mean residence time (900 - 3600 s on the product characteristics and its chemical composition was tested. Struvite crystals of mean size 22-41 µm were produced. An increase in Zn2+ concentration decreased the mean crystal size and homogeneity. An elevation of the pH also decreased the struvite crystal size. Augmenting the mean residence time influenced product quality advantageously. Coexistence of struvite and Zn(OH2 in the product was confirmed analytically.

Challenge for real-time and real-space resolved spectroscopy of surface chemical reactions. Aiming at trace of irreversible and inhomogeneous reactions

International Nuclear Information System (INIS)

Amemiya, Kenta

2015-01-01

A novel experimental technique, time-resolved wavelength-dispersive soft X-ray imaging spectroscopy, is proposed in order to achieve real-time and real-space resolved spectroscopy for the observation of irreversible and inhomogeneous surface chemical reactions. By combining the wavelength-dispersed soft X rays, in which the X-ray wavelength (photon energy) changes as a function of position on the sample, with the photoelectron emission microscope, the soft X-ray absorption spectra are separately obtained at different positions on the sample without scanning the X-ray monochromator. Therefore, the real-time resolved measurement of site-selective soft X-ray absorption spectroscopy is realized in one event without repeating the chemical reaction. It is expected that the spatial distribution of different chemical species is traced during the surface chemical reaction, which is essential to understand the reaction mechanism. (author)

The time-dependent development of electric double-layers in saline solutions

International Nuclear Information System (INIS)

Morrow, R; McKenzie, D R; Bilek, M M M

2006-01-01

We have studied the time-dependent development of electric double-layers (ionic sheaths) in saline solutions by simultaneously solving the sodium and chlorine ion continuity equations coupled with Poisson's equation in one dimension. The study of the effects of time-varying electric fields in solution is relevant to the possible health effect of radio-frequency electric fields on cells in the human body and to assessing the potential of using external electric fields to orient proteins for attachment to surfaces for biosensing applications. Our calculations, for applied voltages of 10-175 mV between the electrode and the solution, predict time scales of ∼0.1-110 μs for the formation of double-layers in solutions of concentration between 0.001 and 1.0 M. We develop an empirical equation that can predict the double-layer formation time to within 10% over this wide parameter range. The method has been validated by comparing the solutions obtained, once the program has run to a steady state, with the standard non-linear Poisson-Boltzmann equations. Excellent agreement is found with the Gouy-Chapman solution of the non-linear Poisson-Boltzmann equation. Thus the method is not restricted in accuracy and applicability as is the case for the linear Poisson-Boltzmann equation. The method can also provide solutions for cases where there are orders of magnitude changes in the ion densities; this has not been the case for previous studies where small perturbation analysis has been employed. The method developed here can readily be extended to two and three dimensions using time-splitting methods

Relativistic nucleus-nucleus collisions: Zone of reactions and space-time structure of fireball

International Nuclear Information System (INIS)

Anchishkin, D.; Muskeyev, A.; Yezhov, S.

2010-01-01

A zone of reactions is determined and then exploited as a tool in studying the space-time structure of an interacting system formed in a collision of relativistic nuclei. The time dependence of the reaction rates integrated over spatial coordinates is also considered. Evaluations are made with the help of the microscopic transport model UrQMD. The relation of the boundaries of different zones of reactions and the hypersurfaces of sharp chemical and kinetic freeze-outs is discussed.

Similarity Solutions for Multiterm Time-Fractional Diffusion Equation

OpenAIRE

Elsaid, A.; Abdel Latif, M. S.; Maneea, M.

2016-01-01

Similarity method is employed to solve multiterm time-fractional diffusion equation. The orders of the fractional derivatives belong to the interval (0,1] and are defined in the Caputo sense. We illustrate how the problem is reduced from a multiterm two-variable fractional partial differential equation to a multiterm ordinary fractional differential equation. Power series solution is obtained for the resulting ordinary problem and the convergence of the series solution is discussed. Based on ...

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…

Solution of the atmospheric diffusion equation with a realistic diffusion coefficient and time dependent mixing height

International Nuclear Information System (INIS)

Mayhoub, A.B.; Etman, S.M.

1997-01-01

One dimensional model for the dispersion of a passive atmospheric contaminant (neglecting chemical reactions) in the atmospheric boundary layer is introduced. The differential equation representing the dispersion of pollutants is solved on the basis of gradient-transfer theory (K- theory). The present approach deals with a more appropriate and realistic profile for the diffusion coefficient K, which is expressed in terms of the friction velocity U, the vertical coordinate z and the depth of the mixing layer h, which is taken time dependent. After some mathematical simplification, the equation analytic obtained solution can be easily applied to case study concerning atmospheric dispersion of pollutants

The Mechanism of Redox Reaction between Palladium(II Complex Ions and Potassium Formate in Acidic Aqueous Solution

Directory of Open Access Journals (Sweden)

Wojnicki M.

2017-06-01

Full Text Available The kinetics studies of redox reaction between palladium(II chloride complex ions and potassium formate in acidic aqueous solutions was investigated. It was shown, that the reduction reaction of Pd(II is selective in respect to Pd(II complex structure. The kinetic of the process was monitored spectrophotometrically. The influence of chloride ions concentration, Pd(II initial concentration, reductant concentration, ionic strength as well as the temperature were investigated in respect to the process dynamics. Arrhenius equation parameters were determined and are equal to 65.8 kJ/mol, and A = 1.12×1011 s−1.

Effects of uncertainty, transmission type, driver age and gender on brake reaction and movement time.

Science.gov (United States)

Warshawsky-Livne, Lora; Shinar, David

2002-01-01

Braking time (BT) is a critical component in safe driving, and various approaches have been applied to minimize it. This study analyzed the components of BT in order to assess the effects of age, gender, vehicle transmission type, and event uncertainty, on its two primary components, perception-reaction time and brake-movement time. Perception-reaction time and brake-movement time were measured at the onset of lights for 72 subjects in a simulator. The six experimental conditions were three levels of uncertainty conditions (none, some, and some + false alarms) and two types of transmission (manual and automatic). The 72 subjects, half male and half female, were further divided into three age groups (mean of 23, 30, and 62 years). Each subject had 10 trials in each of the three levels of uncertainty conditions. Transmission type did not significantly affect either perception-reaction time or brake-movement time. Perception-reaction time increased significantly from 0.32 to 0.42 s (P brake-movement time did not change. Perception-reaction time increased (from 0.35 to 0.43 s) with age but brake-movement time did not change with age. Gender did not affect perception-reaction time but did affect brake-movement time (males 0.19 s vs. females 0.16 s). At 90 km/h, a car travels 0.25 m in 0.01 s. Consequently, even such small effects multiplied by millions of vehicle-kilometers can contribute to significant savings in lives and damages.

Short-time existence of solutions for mean-field games with congestion

KAUST Repository

Gomes, Diogo A.

2015-11-20

We consider time-dependent mean-field games with congestion that are given by a Hamilton–Jacobi equation coupled with a Fokker–Planck equation. These models are motivated by crowd dynamics in which agents have difficulty moving in high-density areas. The congestion effects make the Hamilton–Jacobi equation singular. The uniqueness of solutions for this problem is well understood; however, the existence of classical solutions was only known in very special cases, stationary problems with quadratic Hamiltonians and some time-dependent explicit examples. Here, we demonstrate the short-time existence of C∞ solutions for sub-quadratic Hamiltonians.

Static and time-dependent solutions of Einstein-Maxwell-Yukawa fields

International Nuclear Information System (INIS)

Lal, K.B.; Khan, M.Q.

1977-01-01

An exact solution of Einstein-Maxwell-Yukawa field equations has been obtained in a space-time with a static metric. A critical analysis reveals that the results previously obtained by Patel (Tensor New Sci.; 29:237 (1975)), Singh (Gen. Rel. Grav.; 6:657 (1974)), and Taub (Ann. Math.; 53:472 (1951)) are particular cases of the present solution. The singular behaviour of the solution is also discussed in this paper. Further, extending the technique developed by Janis et al (Phys. Rev.; 186:1729 (1969)), for static fields, to the case of nonstatic fields, an exact time-dependent axially symmetric solution of EMY fields has been obtained. The present solution in the nonstatic case is nonsingular in the sense of Bonnor (J. Math. Mech.; 6:203 (1957)) and presents a generalization of the results obtained by Misra (Proc. Cambridge Philos. Soc.; 58:711 (1962)) to the case when a zero-mass scalar field coexists with a source free electromagnetic field. (author)

Analytic solutions of the multigroup space-time reactor kinetics equations

International Nuclear Information System (INIS)

Lee, C.E.; Rottler, S.

1986-01-01

The development of analytical and numerical solutions to the reactor kinetics equations is reviewed. Analytic solutions of the multigroup space-time reactor kinetics equations are developed for bare and reflected slabs and spherical reactors for zero flux, zero current and extrapolated endpoint boundary conditions. The material properties of the reactors are assumed constant in space and time, but spatially-dependent source terms and initial conditions are investigated. The system of partial differential equations is reduced to a set of linear ordinary differential equations by the Laplace transform method. These equations are solved by matrix Green's functions yielding a general matrix solution for the neutron flux and precursor concentration in the Laplace transform space. The detailed pole structure of the Laplace transform matrix solutions is investigated. The temporally- and spatially-dependent solutions are determined from the inverse Laplace transform using the Cauchy residue theorem, the theorem of Frobenius, a knowledge of the detailed pole structure and matrix operators. (author)

A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solvent

Science.gov (United States)

Kojima, H.; Yamada, A.; Okazaki, S.

2015-05-01

The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantum-classical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates is reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solute-solvent interactions.

Investigation of organometallic reaction mechanisms with one and two dimensional vibrational spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Cahoon, James Francis [Univ. of California, Berkeley, CA (United States)

2008-12-01

One and two dimensional time-resolved vibrational spectroscopy has been used to investigate the elementary reactions of several prototypical organometallic complexes in room temperature solution. The electron transfer and ligand substitution reactions of photogenerated 17-electron organometallic radicals CpW(CO)₃ and CpFe(CO)₂ have been examined with one dimensional spectroscopy on the picosecond through microsecond time-scales, revealing the importance of caging effects and odd-electron intermediates in these reactions. Similarly, an investigation of the photophysics of the simple Fischer carbene complex Cr(CO)₅[CMe(OMe)] showed that this class of molecule undergoes an unusual molecular rearrangement on the picosecond time-scale, briefly forming a metal-ketene complex. Although time-resolved spectroscopy has long been used for these types of photoinitiated reactions, the advent of two dimensional vibrational spectroscopy (2D-IR) opens the possibility to examine the ultrafast dynamics of molecules under thermal equilibrium conditions. Using this method, the picosecond fluxional rearrangements of the model metal carbonyl Fe(CO)₅ have been examined, revealing the mechanism, time-scale, and transition state of the fluxional reaction. The success of this experiment demonstrates that 2D-IR is a powerful technique to examine the thermally-driven, ultrafast rearrangements of organometallic molecules in solution.

Mean Transit Time and Mean Residence Time for Linear Diffusion–Convection–Reaction Transport System

Directory of Open Access Journals (Sweden)

Jacek Waniewski

2007-01-01

Full Text Available Characteristic times for transport processes in biological systems may be evaluated as mean transit times (MTTs (for transit states or mean residence times (MRT (for steady states. It is shown in a general framework of a (linear reaction–diffusion–convection equation that these two times are related. Analytical formulas are also derived to calculate moments of exit time distribution using solutions for a stationary state of the system.

Time-resolved FTIR emission studies of laser photofragmentation and radical reactions

Energy Technology Data Exchange (ETDEWEB)

Leone, S.R. [Univ. of Colorado, Boulder (United States)

1993-12-01

Recent studies have focused specifically on collision processes, such as single collision energy transfer, reaction dynamics, and radical reactions. The authors employ novel FTIR techniques in the study of single collision energy transfer processes using translationally fast H atom, as well as radical-radical reactions, e.g. CH{sub 3} + O, CF{sub 3} + H(D), and Cl + C{sub 2}H{sub 5}. The fast atoms permit unique high energy regions of certain transition states of combustion species to be probed for the first time.

Isolation of an oxomanganese(V) porphyrin intermediate in the reaction of a manganese(III) porphyrin complex and H2O2 in aqueous solution.

Science.gov (United States)

Nam, Wonwoo; Kim, Inwoo; Lim, Mi Hee; Choi, Hye Jin; Lee, Je Seung; Jang, Ho G

2002-05-03

The reaction of [Mn(TF(4)TMAP)](CF(3)SO(3))(5) (TF(4)TMAP=meso-tetrakis(2,3,5,6-tetrafluoro-N,N,N-trimethyl-4-aniliniumyl)porphinato dianion) with H(2)O(2) (2 equiv) at pH 10.5 and 0 degrees C yielded an oxomanganese(V) porphyrin complex 1 in aqueous solution, whereas an oxomanganese(IV) porphyrin complex 2 was generated in the reactions of tert-alkyl hydroperoxides such as tert-butyl hydroperoxide and 2-methyl-1-phenyl-2-propyl hydroperoxide. Complex 1 was capable of epoxidizing olefins and exchanging its oxygen with H(2) (18)O, whereas 2 did not epoxidize olefins. From the reactions of [Mn(TF(4)TMAP)](5+) with various oxidants in the pH range 3-11, the O-O bond cleavage of hydroperoxides was found to be sensitive to the hydroperoxide substituent and the pH of the reaction solution. Whereas the O-O bond of hydroperoxides containing an electron-donating tert-alkyl group is cleaved homolytically, an electron-withdrawing substituent such as an acyl group in m-chloroperoxybenzoic acid (m-CPBA) facilitates O-O bond heterolysis. The mechanism of the O-O bond cleavage of H(2)O(2) depends on the pH of the reaction solution: O-O bond homolysis prevails at low pH and O-O bond heterolysis becomes a predominant pathway at high pH. The effect of pH on (18)O incorporation from H(2) (18)O into oxygenated products was examined over a wide pH range, by carrying out the epoxidation of carbamazepine (CBZ) with [Mn(TF(4)TMAP)](5+) and KHSO(5) in buffered H(2) (18)O solutions. A high proportion of (18)O was incorporated into the CBZ-10,11-oxide product at all pH values but this proportion was not affected significantly by the pH of the reaction solution.

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions.

Science.gov (United States)

Brack, Paul; Dann, Sandie; Wijayantha, K G Upul; Adcock, Paul; Foster, Simon

2016-08-17

There is a growing research interest in the development of portable systems which can deliver hydrogen on-demand to proton exchange membrane (PEM) hydrogen fuel cells. Researchers seeking to develop such systems require a method of measuring the generated hydrogen. Herein, we describe a simple, low-cost, and robust method to measure the hydrogen generated from the reaction of solids with aqueous solutions. The reactions are conducted in a conventional one-necked round-bottomed flask placed in a temperature controlled water bath. The hydrogen generated from the reaction in the flask is channeled through tubing into a water-filled inverted measuring cylinder. The water displaced from the measuring cylinder by the incoming gas is diverted into a beaker on a balance. The balance is connected to a computer, and the change in the mass reading of the balance over time is recorded using data collection and spreadsheet software programs. The data can then be approximately corrected for water vapor using the method described herein, and parameters such as the total hydrogen yield, the hydrogen generation rate, and the induction period can also be deduced. The size of the measuring cylinder and the resolution of the balance can be changed to adapt the setup to different hydrogen volumes and flow rates.

Solutions to Time-Fractional Diffusion-Wave Equation in Cylindrical Coordinates

Directory of Open Access Journals (Sweden)

Povstenko YZ

2011-01-01

Full Text Available Nonaxisymmetric solutions to time-fractional diffusion-wave equation with a source term in cylindrical coordinates are obtained for an infinite medium. The solutions are found using the Laplace transform with respect to time , the Hankel transform with respect to the radial coordinate , the finite Fourier transform with respect to the angular coordinate , and the exponential Fourier transform with respect to the spatial coordinate . Numerical results are illustrated graphically.

A Coupled Model for Solution Flow and Bioleaching Reaction Based on the Evolution of Heap Pore Structure

Directory of Open Access Journals (Sweden)

Shenghua Yin

2014-01-01

Full Text Available Based on the basic seepage law, equations have been derived to descript the solution flow within the copper ore heap which is treated as anisotropy porous media. The relationship between heap permeability and pore ratio has been revealed. Given the consideration of cover pressure and particle dissolution, pore evolution model has been set up. The pore evolution mechanism, due to the process of dissolution, precipitation, blockage, collapse, and caking, has been investigated. The comprehensive model for pore evolution and solution flow under the effect of solute transport and leaching reaction has been established. A trapezoidal heap was calculated, and the estimated results show that permeability decreases with the decreasing of pore ratio. Therefore, the permeability of the heap with small particles is relatively low because of its low pore ratio. Furthermore, permeability and height are found to be the two main factors influencing the solution flow.

Radiolysis of paracetamol in dilute aqueous solution

International Nuclear Information System (INIS)

Szabó, László; Tóth, Tünde; Homlok, Renáta; Takács, Erzsébet; Wojnárovits, László

2012-01-01

Using radiolytic experiments hydroxyl radical (main reactant in advanced oxidation processes) was shown to effectively destroy paracetamol molecules. The basic reaction is attachment to the ring. The hydroxy-cyclohexadienyl radical produced in the further reactions may transform to hydroxylated paracetamol derivatives or to quinone type molecules and acetamide. The initial efficiency of aromatic ring destruction in the absence of dissolved O 2 is c.a. 10%. The efficiency is 2–3 times higher in the presence of O 2 due to its reaction with intermediate hydroxy-cyclohexadienyl radical and the subsequent ring destruction reactions through peroxi radical. Upon irradiation the toxicity of solutions at low doses increases with the dose and then at higher doses it decreases. This is due to formation of compounds with higher toxicity than paracetamol (e.g. acetamide, hidroquinone). These products, however, are highly sensitive to irradiation and degrade easily. - Highlights: ► Paracetamol is easily degraded in aqueous solution by low dose irradiation. ► Main degradation products are hydroxylated molecules, acetamide and hydroquinone. ► Toxicity of solutions goes through a maximum as a function of dose.

Radiolysis of paracetamol in dilute aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Szabo, Laszlo [Institute of Isotopes, Hungarian Academy of Sciences, Budapest (Hungary); Budapest University of Technology and Economics, Budapest (Hungary); Toth, Tuende [Budapest University of Technology and Economics, Budapest (Hungary); Homlok, Renata [Institute of Isotopes, Hungarian Academy of Sciences, Budapest (Hungary); Takacs, Erzsebet [Institute of Isotopes, Hungarian Academy of Sciences, Budapest (Hungary); Wojnarovits, Laszlo [Institute of Isotopes, Hungarian Academy of Sciences, Budapest (Hungary)

2012-09-15

Using radiolytic experiments hydroxyl radical (main reactant in advanced oxidation processes) was shown to effectively destroy paracetamol molecules. The basic reaction is attachment to the ring. The hydroxy-cyclohexadienyl radical produced in the further reactions may transform to hydroxylated paracetamol derivatives or to quinone type molecules and acetamide. The initial efficiency of aromatic ring destruction in the absence of dissolved O{sub 2} is c.a. 10%. The efficiency is 2-3 times higher in the presence of O{sub 2} due to its reaction with intermediate hydroxy-cyclohexadienyl radical and the subsequent ring destruction reactions through peroxi radical. Upon irradiation the toxicity of solutions at low doses increases with the dose and then at higher doses it decreases. This is due to formation of compounds with higher toxicity than paracetamol (e.g. acetamide, hidroquinone). These products, however, are highly sensitive to irradiation and degrade easily. - Highlights: Black-Right-Pointing-Pointer Paracetamol is easily degraded in aqueous solution by low dose irradiation. Black-Right-Pointing-Pointer Main degradation products are hydroxylated molecules, acetamide and hydroquinone. Black-Right-Pointing-Pointer Toxicity of solutions goes through a maximum as a function of dose.

Kinetics of transuranium element oxidation-reduction reactions in solution

International Nuclear Information System (INIS)

Gourisse, D.

1966-09-01

A review of the kinetics of U, Np, Pu, Am oxidation-reduction reactions is proposed. The relations between the different activation thermodynamic functions (compensatory effect, formal entropy of the activated complex, magnitude of reactions velocities) are considered. The effects of acidity, ionic strength deuterium and mixed solvents polarity on reactions rates are described. The effect of different anions on reactions rates are explained by variations of the reaction standard free energy and variations of the activation free energy (coulombic interactions) resulting from the complexation of dissolved species by these anions. (author) [fr

An Inexpensive Solution Calorimeter

Science.gov (United States)

Kavanagh, Emma; Mindel, Sam; Robertson, Giles; Hughes, D. E. Peter

2008-01-01

We describe the construction of a simple solution calorimeter, using a miniature bead thermistor as a temperature-sensing element. This has a response time of a few seconds and made it possible to carry out a thermometric reaction in under a minute, which led to minimal heat losses. Small temperature changes of 1 K associated with enthalpies of…

Chemical changes in groundwater and their reaction rates

International Nuclear Information System (INIS)

Talma, A.S.

1981-01-01

The evolution of the major ion concentrations of groundwater (Na, K, Ca, Mg, HCO 3 , SO 4 , Cl and NO 3 ) can be described as the consequence of a number of competing chemical reactions. With the aid of the naturally occuring radioactive and stable isotopes some of these reactions can be separated, identified and followed in space and time. In some field studies, especialy of artesian water, the rates of reactions can be estimated. A number of processes observed in South African sandstones aquifers are discussed and the variable reaction rates demonstrated. Reactions that can be identified include carbonate solution, chemical weathering, salt leaching, cation exchange and redox processes

Redox reactions of 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) in aqueous solution

International Nuclear Information System (INIS)

Barik, A.; Priyadarsini, K.I.; Mohan, Hari

2004-01-01

Pulse radiolysis technique has been employed to study the reactions of oxidizing ( · OH, N 3 · ) and reducing radicals (e - aq , CO 2 ·- , acetone ketyl radical) with 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) at different pH. Hydroxyl radicals react mostly by addition reaction forming radical adducts (λ max =420 nm) and the oxidation is only a minor process even in the alkaline region. The reaction with azide radicals produced phenoxyl radicals (λ max =340 nm), which are formed on fast deprotonation of solute radical cation. Using PMZ ·+ /PMZ and ABTS ·- /ABTS 2- as the reference couple, different methods are employed to determine the one-electron reduction potential of o-vanillin and the average value is estimated to be 1.076±0.004 V vs. NHE at pH 6. The phenoxyl radicals of o-vanillin were able to oxidize ABTS 2- quantitatively. The e aq - is observed to react with o-vanillin with rate constant value of 2x10 10 dm 3 mol -1 s -1 . CO 2 ·- and acetone ketyl radical are also observed to react with o-vanillin by electron transfer mechanism and showed the formation of transient absorption bands with λ max at 350 and 390 nm at pH 4.5 and 9.7, respectively. The pK a of the one-electron reduced species was determined to be 8.1. The results indicate that the aldehydic group is the most preferred site for electron addition

Monoterpene separation by coupling proton transfer reaction time-of-flight mass spectrometry with fastGC.

Science.gov (United States)

Materić, Dušan; Lanza, Matteo; Sulzer, Philipp; Herbig, Jens; Bruhn, Dan; Turner, Claire; Mason, Nigel; Gauci, Vincent

2015-10-01

Proton transfer reaction mass spectrometry (PTR-MS) is a well-established technique for real-time analysis of volatile organic compounds (VOCs). Although it is extremely sensitive (with sensitivities of up to 4500 cps/ppbv, limits of detection monoterpenes, which belong to the most important plant VOCs, still cannot be distinguished so more traditional technologies, such as gas chromatography mass spectrometry (GC-MS), have to be utilised. GC-MS is very time consuming (up to 1 h) and cannot be used for real-time analysis. Here, we introduce a sensitive, near-to-real-time method for plant monoterpene research-PTR-MS coupled with fastGC. We successfully separated and identified six of the most abundant monoterpenes in plant studies (α- and β-pinenes, limonene, 3-carene, camphene and myrcene) in less than 80 s, using both standards and conifer branch enclosures (Norway spruce, Scots pine and black pine). Five monoterpenes usually present in Norway spruce samples with a high abundance were separated even when the compound concentrations were diluted to 20 ppbv. Thus, fastGC-PTR-ToF-MS was shown to be an adequate one-instrument solution for plant monoterpene research.

Vestibular stimulation after head injury: effect on reaction times and motor speech parameters

DEFF Research Database (Denmark)

Engberg, A

1989-01-01

Earlier studies by other authors indicate that vestibular stimulation may improve attention and dysarthria in head injured patients. In the present study of five severely head injured patients and five controls, the effect of vestibular stimulation on reaction times (reflecting attention) and some...... motor speech parameters (reflecting dysarthria) was investigated. After eight weeks with regular stimulation, it was concluded that reaction time changes were individual and consistent for a given subject. Only occasionally were they shortened after stimulation. However, reaction time was lengthened...... in three cases, prohibiting further stimulation in one case. Motion sickness was prohibitive in a second case. However, after-stimulation increase of phonation time and/or vital capacity was found in one patient and four controls. Oral diadochokinetic rates were slowed in several cases. Collectively, when...

The effects of reactants ratios, reaction temperatures and times on Maillard reaction products of the L-ascorbic acid/L-glutamic acid system

Directory of Open Access Journals (Sweden)

Yong-Yan ZHOU

2016-01-01

Full Text Available Abstract The transformation law of the Maillard reaction products with three different reactants ratios - equimolar reactants, excess L-glutamic acid and excess L-ascorbic acid reaction respectively, five different temperatures, and different time conditions for the L-ascorbic acid / L-glutamic acid system were investigated. Results showed that, the increase of the reaction time and temperature led to the increase of the browning products, uncoloured intermediate products, as well as aroma compounds. Compared with the equimolar reaction system, the excess L-ascorbic acid reaction system produced more browning products and uncoloured intermediate products, while the aroma compounds production remained the same. In the excess L-glutamic acid system, the uncoloured intermediate products increased slightly, the browning products remained the same, while the aroma compounds increased.

Proof of existence of global solutions for m-component reaction-diffusion systems with mixed boundary conditions via the Lyapunov functional method

International Nuclear Information System (INIS)

Abdelmalek, Salem; Kouachi, Said

2007-01-01

To prove global existence for solutions of m-component reaction-diffusion systems presents fundamental difficulties in the case in which some components of the system satisfy Neumann boundary conditions while others satisfy nonhomogeneous Dirichlet boundary conditions and nonhomogeneous Robin boundary conditions. The purpose of this paper is to prove the existence of a global solution using a single inequality for the polynomial growth condition of the reaction terms. Our technique is based on the construction of polynomial functionals. This result generalizes those obtained recently by Kouachi et al (at press), Kouachi (2002 Electron. J. Diff. Eqns 2002 1), Kouachi (2001 Electron. J. Diff. Eqns 2001 1) and independently by Malham and Xin (1998 Commun. Math. Phys. 193 287)

On the smectite-to-illite reaction

International Nuclear Information System (INIS)

Oscarson, D.W.; Hume, H.B.

1993-08-01

The smectite component of the buffer material in a nuclear fuel waste disposal vault could slowly transform over long periods of time to an inter-stratified illite/smectite (I/S) material. This has important implications for the long-term effectiveness of the buffer material. The smectite-to-illite reaction was examined by treating Wyoming bentonite at 150, 200 and 250 degrees C for periods ranging from 90 to 194 days in five synthetic solutions having widely varying compositions. The solution-to-clay ratio was 0.025 m 3 /kg. Progress of the smectite alteration reaction was determined by measuring the expandability of the reaction products by X-ray diffractometry after the exchange complex of the clay was saturated with K and solvated with ethylene glycol. In all systems, the expandability of the I/S run products generally decreased (increase in the amount of I/S formed) with increasing temperature and time. The cation-exchange capacity of the clay was not, however, markedly affected by the hydrothermal treatments. The results indicate the presence of K in solution is not necessary for the development of high-charge layers in smectite (an increase in layer charge is the first step in the formation of illite from smectite). The expandability of the I/S was greater in the solutions with comparatively high concentrations of Ca. This supports the observation that the presence of Ca, rather than Na, on the exchange complex of smectite inhibits the formation of high-charge layers. The data do not allow us to predict the rate at which smectite will transform to I/S in a disposal vault environment. But the reaction will undoubtedly be very slow given that the temperature in a disposal vault will be <100 C and the concentration of K in groundwaters deep in granite rock very low compared with that of Ca and Na. (author). 54 refs., 4 tabs., 3 figs

Reaction kinetics of hydrazine neutralization in steam generator wet lay-up solution: Identifying optimal degradation conditions

International Nuclear Information System (INIS)

Schildermans, Kim; Lecocq, Raphael; Girasa, Emmanuel

2012-09-01

During a nuclear power plant outage, hydrazine is used as an oxygen scavenger in the steam generator lay-up solution. However, due to the carcinogenic effects of hydrazine, more stringent discharge limits are or will be imposed in the environmental permits. Hydrazine discharge could even be prohibited. Consequently, hydrazine alternatives or hydrazine degradation before discharge is needed. This paper presents the laboratory tests performed to characterize the reaction kinetics of hydrazine neutralization using bleach or hydrogen peroxide, catalyzed with either copper sulfate (CuSO 4 ) or potassium permanganate (KMnO 4 ). The tests are performed on two standard steam generator lay-up solutions based on different pH control agents: ammonia or ethanolamine. Different neutralization conditions are tested by varying temperature, oxidant addition, and catalyst concentration, among others, in order to identify the optimal parameters for hydrazine neutralization in a steam generator wet lay-up solution. (authors)

Interpolymer reactions of nonionic polymers with polyacrylic acid in aqueous solutions

Directory of Open Access Journals (Sweden)

E. Shaikhutdinov

2012-03-01

Full Text Available Results of fundamental investigations in the intermacromolecular reactions and interpolymer complexes to be performed by authors with co-workes within last 20 years have been intergrated and summarized in the present review. The raw of fundamental regularities in the effect of factors of different nature (pH, ionic strength, temperature, hydrophilic-hydrophobic balance of macrochain, etc. on the complexation of nonionic polymers with polycarboxylic acids in aqueous solutions has been revealed. Critical pH upon complexation (pHcrit. has been used for evaluation of the complexing ability of the polymers. It was shown tha tdepending on pHcrit. all systems can be divided into 2 groups, namely, weak complexing and strongly complexing. The existence of two critical pH upon complexation responsible for formation typical interpolymer complexes and hydrophilic associations has been demonstrated by the method of luminescence spectroscopy.

Late time solution for interacting scalar in accelerating spaces

Energy Technology Data Exchange (ETDEWEB)

Prokopec, Tomislav, E-mail: t.prokopec@uu.nl [Institute for Theoretical Physics, Spinoza Institute and EMME$\\Phi$, Utrecht University, Postbus 80.195, Utrecht, 3508 TD The Netherlands (Netherlands)

2015-11-01

We consider stochastic inflation in an interacting scalar field in spatially homogeneous accelerating space-times with a constant principal slow roll parameter ε. We show that, if the scalar potential is scale invariant (which is the case when scalar contains quartic self-interaction and couples non-minimally to gravity), the late-time solution on accelerating FLRW spaces can be described by a probability distribution function (PDF) ρ which is a function of φ/H only, where φ=φ( x-vector ) is the scalar field and H=H(t) denotes the Hubble parameter. We give explicit late-time solutions for ρarrow ρ{sub ∞}(φ/H), and thereby find the order ε corrections to the Starobinsky-Yokoyama result. This PDF can then be used to calculate e.g. various n-point functions of the (self-interacting) scalar field, which are valid at late times in arbitrary accelerating space-times with ε= constant.

Translation invariant time-dependent solutions to massive gravity II

Science.gov (United States)

Mourad, J.; Steer, D. A.

2014-06-01

This paper is a sequel to JCAP 12 (2013) 004 and is also devoted to translation-invariant solutions of ghost-free massive gravity in its moving frame formulation. Here we consider a mass term which is linear in the vielbein (corresponding to a β3 term in the 4D metric formulation) in addition to the cosmological constant. We determine explicitly the constraints, and from the initial value formulation show that the time-dependent solutions can have singularities at a finite time. Although the constraints give, as in the β1 case, the correct number of degrees of freedom for a massive spin two field, we show that the lapse function can change sign at a finite time causing a singular time evolution. This is very different to the β1 case where time evolution is always well defined. We conclude that the β3 mass term can be pathological and should be treated with care.

Construction of an exact solution of time-dependent Ginzburg ...

Indian Academy of Sciences (India)

time-dependent Ginzburg–Landau (TDGL) equations we have calculated the ... The prototype of such equations is the parabolic reaction diffusion equation [7,8] ..... It may be possible to compare the above results with suitable experiments, ...

Anisotropic, time-dependent solutions in maximally Gauss-Bonnet extended gravity

International Nuclear Information System (INIS)

Kitaura, Takayuki; Wheeler, J.T.

1991-01-01

In an arbitrary number of dimensions, we find the full exact anisotropic, time-dependent, diagonal-metric solutions to maximally Gauss-Bonnet extended gravity theory. This class of theories for which the lagrangian is an arbitrary linear combination of dimensionally extnded Euler forms, is the most general gravitational theory in which the field equations contain no more than second derivatives of the metric. We show that the space-time exponentially approaches an asymptotic state of constant, anisotropic curvature and prove three theorems concerning two generic types of singularities. The first theorem gives conditions for the existence of Kasner-like curvature singularities. For these the metric diverges as tsup(p i ) where Σp i = 2 k max -1 and k max is the highest power of the curvature in the lagrangian. Other critical point singularities can arise from the polynomial nature of the theory. The remaining theorems demonstrate that the generic solution is extendible at all of these other critical points and that the generic critical points occur at moments of extremal volume density of space-time. We give an explicit coordinate transformation which produces a smooth extension through the critical point. The space-time may therefore alternately expand and contract for many cycles before expanding forever or contracting to a singularity. Many particular cases are treated in detail including several power series solutions, the generalized Kasner solution to general relativity with or without cosmological constant, the perturbative solution for quadratic string gravity, and five-dimensional extended gravity. (orig.)

EIS study of the redox reaction of Fe(CN)63-/4- at glassy carbon electrode via diazonium reduction in aqueous and acetonitrile solutions

Energy Technology Data Exchange (ETDEWEB)

Khoshroo, M.; Rostami, A. [Mazandaran Univ., Babolsar (Iran, Islamic Republic of). Dept. of Physical Chemistry

2008-07-01

This paper reported on a study that characterized soluble electroactive species by cyclic voltammetry to investigate the presence of grafted films and their blocking properties. In particular, the authority of the glassy carbon electrode modification conditions on the cyclic voltammetric response of Fe(CN)63-/4- oxido-reduction was examined for 2 layers grafted by electrochemical reduction of diazonium salts in acetonitrile and aqueous solutions. PAA and Fast Black K modified glassy carbon electrodes exhibited a significant blocking behaviour for oxidation and reduction reactions of the Fe(CN)63-/4- redox system in aqueous and acetonitrile solutions. The study showed that the blocking effect increased which changes in time and concentration of diazonium salts in acetonitrile solution. Electrochemical impedance spectroscopy (EIS) measurements showed that the physical barrier of grafted layers prevent the access of Fe(CN)63-/4- to the underlying glassy carbon electrode. Therefore the RCT resistance increases during the modification treatment. The substituted phenyl layers are much more compact and less permeable in a nonaqueous solvent than with an aqueous solvent. Electrochemical impedance measurements indicate that the kinetics of electron transfer slow down when the time and the concentration used to modify the glassy carbon electrode increase. 4 refs., 1 fig.

A critical review of Richard Lynn's reports on reaction time and race.

Science.gov (United States)

Thomas, Drew M

2011-01-01

In the early 1990s, psychologist Richard Lynn published papers documenting average reaction times and decision times in samples of nine-year-olds taken from across the world. After summarizing these data, Lynn interpreted his results as evidence of national and racial differences in decision time and general intelligence. Others have also interpreted Lynn's data as evidence of racial differences in decision time and intelligence. However, comparing Lynn's summaries with his original reports shows that Lynn misreported and omitted some of his own data. Once these errors are fixed the rankings of nations in Lynn's datasets are unstable across different decision time measures. This instability, as well as within-race heterogeneity and between-race overlap in decision times, implies that Lynn's reaction time data do not permit generalizations about the decision times and intelligence of people of different races.

Reaction of hydrogen peroxide with uranium zirconium oxide solid solution - Zirconium hinders oxidative uranium dissolution

Science.gov (United States)

Kumagai, Yuta; Takano, Masahide; Watanabe, Masayuki

2017-12-01

We studied oxidative dissolution of uranium and zirconium oxide [(U,Zr)O2] in aqueous H2O2 solution to estimate (U,Zr)O2 stability to interfacial reactions with H2O2. Studies on the interfacial reactions are essential for anticipating how a (U,Zr)O2-based molten fuel may chemically degrade after a severe accident. The fuel's high radioactivity induces water radiolysis and continuous H2O2 generation. Subsequent reaction of the fuel with H2O2 may oxidize the fuel surface and facilitate U dissolution. We conducted our experiments with (U,Zr)O2 powder (comprising Zr:U mole ratios of 25:75, 40:60, and 50:50) and quantitated the H2O2 reaction via dissolved U and H2O2 concentrations. Although (U,Zr)O2 reacted more quickly than UO2, the dissolution yield relative to H2O2 consumption was far less for (U,Zr)O2 compared to that of UO2. The reaction kinetics indicates that most of the H2O2 catalytically decomposed to O2 at the surface of (U,Zr)O2. We confirmed the H2O2 catalytic decomposition via O2 production (quantitative stoichiometric agreement). In addition, post-reaction Raman scattering spectra of the undissolved (U,Zr)O2 showed no additional peaks (indicating a lack of secondary phase formation). The (U,Zr)O2 matrix is much more stable than UO2 against H2O2-induced oxidative dissolution. Our findings will improve understanding on the molten fuels and provide an insight into decommissioning activities after a severe accident.

Time scale of hydrothermal water-rock reactions in Yellowstone National Park based on radium isotopes and radon

International Nuclear Information System (INIS)

Clark, J.F.; Turekian, K.K.

1990-01-01

We have measured 224 Ra (3.4 d), 228 Ra (5.7 yr), and 226 Ra (1620 yr) and chloride in hot spring waters from the Norris-Mammoth Corridor, Yellowstone National Park. Two characteristic cold-water components mix with the primary hydrothermal water: one for the travertine-depositing water related to the Mammoth Hot Springs and the other for the sinter-depositing Norris Geyser Basin springs. The Mammoth Hot Springs water is a mixture of the primary hydrothermal fluid with meteoric waters flowing through the Madison Limestone, as shown by the systematic decrease of the ( 228 Ra/ 226 Ra) activity ratio proceeding northward. The Norris Geyser Basin springs are mixtures of primary hydrothermal water with different amounts of cold meteoric water with no modification of the primary hydrothermal ( 228 Ra/ 226 Ra) activity ratio. Using a solution and recoil model for radium isotope supply to the primary hydrothermal water, a mean water-rock reaction time prior to expansion at 350degC and supply to the surface is 540 years assuming that 250 g of water are involved in the release of the radium from one gram of rock. The maximum reaction time allowed by our model is 1150 years. (orig.)

Isometries of half supersymmetric time-like solutions in five dimensions

International Nuclear Information System (INIS)

Gutowski, J B; Sabra, W A

2010-01-01

Spinorial geometry techniques have recently been used to classify all half supersymmetric solutions in gauged five-dimensional supergravity with vector multiplets. In this paper we consider solutions for which at least one of the Killing spinors generates a time-like Killing vector. We obtain coordinate transformations which considerably simplify the solutions, and in a number of cases, we obtain explicitly some additional Killing vectors which were hidden in the original analysis.

Inertial effects in diffusion-limited reactions

International Nuclear Information System (INIS)

Dorsaz, N; Foffi, G; De Michele, C; Piazza, F

2010-01-01

Diffusion-limited reactions are commonly found in biochemical processes such as enzyme catalysis, colloid and protein aggregation and binding between different macromolecules in cells. Usually, such reactions are modeled within the Smoluchowski framework by considering purely diffusive boundary problems. However, inertial effects are not always negligible in real biological or physical media on typical observation time frames. This is all the more so for non-bulk phenomena involving physical boundaries, that introduce additional time and space constraints. In this paper, we present and test a novel numerical scheme, based on event-driven Brownian dynamics, that allows us to explore a wide range of velocity relaxation times, from the purely diffusive case to the underdamped regime. We show that our algorithm perfectly reproduces the solution of the Fokker-Planck problem with absorbing boundary conditions in all the regimes considered and is thus a good tool for studying diffusion-guided reactions in complex biological environments.

Oxidation reactions of bilirubin in aqueous solutions

International Nuclear Information System (INIS)

Mohan, Hari; Gopinathan, C.

1990-01-01

The radical cation of bilirubin (BR) has been tentatively identified as a transient intermediate in the reactions of BR with different oxidizing species such as Br 2 - , I 2 - and CH 3 I . OH. The rate constants for these reactions have been determined as 2.4 x 10 9 , l.0 x 10 9 and 2.7 x 10 9 dm 3 mol -1 s -1 , respectively. Biliverdin is likely to be among the stable products formed on oxidation of BR by these oxidizing species. (author)

Theoretical study of chemical reaction effects on vertical oscillating plate with variable temperature

Directory of Open Access Journals (Sweden)

Muthucumaraswamy R.

2006-01-01

Full Text Available An exact solution to the flow of a viscous incompressible unsteady flow past an infinite vertical oscillating plate with variable temperature and mass diffusion is presented here, taking into account of the homogeneous chemical reaction of first-order. Both the plate temperature and the concentration level near the plate are raised linearly with respect to time. The dimensionless governing equations has been obtained by the Laplace transform method, when the plate is oscillating harmonically in its own plane. The effects of velocity and concentration are studied for different parameters like phase angle, chemical reaction parameter, thermal Grashof number, mass Grashof number, Schmidt number and time are studied. The solutions are valid only for small values of time t. It is observed that the velocity increases with decreasing phase angle ωt or chemical reaction parameter. .

Rate constants and temperature effects for reactions of Cl2sm-bullet- with unsaturated alcohols and hydrocarbons in aqueous and acetonitrile/water solutions

International Nuclear Information System (INIS)

Padmaja, S.; Neta, P.; Huie, R.E.

1992-01-01

Absolute rate constants for reactions of the dichlorine radical anion, Cl 2 sm-bullet- , with unsaturated alcohols and hydrocarbons have been measured at various temperatures. The alcohol reactions were measured in aqueous solutions and the hydrocarbon reactions in 1:1 aqueous acetonitirle (ACN) solutions. The rate constants for two alcohols and one hydrocarbon were also examined as a function of solvent composition. The room temperature rate constants varied between 10 6 and 10 9 M -1 s -1 . The pre-exponential factors, A, were about (1-5) x 10 9 M -1 s -1 for the alcohols in aqueous solutions and about (0.1-1) x 10 9 M -1 s -1 for the hydrocarbons in aqueous ACN solutions. The activation energies, E a , varied considerably, between 4 and 12 kJ mol -1 for the alcohols and between 2 and 8 kJ mol -1 for the hydrocarbons. The rate constants, k 298 , decrease with increasing ionization potential (IP) of the unsaturated compound, in agreement with an electrophilic addition mechanism. The activation energies for the unsaturated alcohols decrease when the IP decreases from 9.7 to 9.1 eV but appear to level off at lower IP. Most alkenes studied had IP a . Upon addition of ACN to the aqueous solution, the values of log k 298 decreased linearly by more than 1 order of magnitude with increasing ACN mole fraction. This decrease appears to result from a combination of changes in the activation energy and in the pre-exponential factor. The reason for these changes may lie in changes in the solvation shell of the Cl 2 sm-bullet- radical, which will affect the A factor, in combination with changes in solvation of Cl - , which will affect the energetics of the reactions as well. 20 refs., 7 figs., 6 tabs

Travelling Solitary Wave Solutions for Generalized Time-delayed Burgers-Fisher Equation

International Nuclear Information System (INIS)

Deng Xijun; Han Libo; Li Xi

2009-01-01

In this paper, travelling wave solutions for the generalized time-delayed Burgers-Fisher equation are studied. By using the first-integral method, which is based on the ring theory of commutative algebra, we obtain a class of travelling solitary wave solutions for the generalized time-delayed Burgers-Fisher equation. A minor error in the previous article is clarified. (general)

Reaction analogues in the radiation-induced deamination and dephosphorylation of bio-organic molecules 2: Oxygenated solutions

International Nuclear Information System (INIS)

Garrison, W.M.

1988-02-01

The OH-induced deamination and dephosphorylation of simple peptides and phosphate esters in oxygenated solutions involve the fomation and subsequent degradation of the perodyl radicals RCONHC(/dot O/)R 2 and /bigcirc P/ OC(/dot O/ 2 )R 2 respectively. Reaction analogues in the degradation of peroxyl and alkoxyl radicals in these two systems are evaluated with reference to the OH-induced main-chain cleavage of protein and DNA. 25 refs

Similarity Solutions for Multiterm Time-Fractional Diffusion Equation

Directory of Open Access Journals (Sweden)

A. Elsaid

2016-01-01

Full Text Available Similarity method is employed to solve multiterm time-fractional diffusion equation. The orders of the fractional derivatives belong to the interval (0,1] and are defined in the Caputo sense. We illustrate how the problem is reduced from a multiterm two-variable fractional partial differential equation to a multiterm ordinary fractional differential equation. Power series solution is obtained for the resulting ordinary problem and the convergence of the series solution is discussed. Based on the obtained results, we propose a definition for a multiterm error function with generalized coefficients.

Preparation of Magnetite Nanocrystals from Ferrous Sulphate Solution

International Nuclear Information System (INIS)

Cho Yu Mon; Tint Tint Kywe; Moe Moe Kyaw

2010-12-01

Magnetite (Fe3O4) nanoparticle were prepared by hydrothermal process in two ways, which would be used for production of copier toner.In this investigation, the first process was made from ferrous sulphate (FeSO4 . 7H2O) by using 10 M sodium hydroxide solution. In this method, magnetite nanoparticles were prepared by changing aeration time from 1 to 3 hr and heated at 90C for 15 min. The alternative process was carried out from ferrous sulphate (FeSO4.7H2O) by using 6.6 M sodium hydroxide solution and sodium silicate solution.Magnetite (black iron oxide) was synthesized by using different aeration times and reaction times. Aeration time was changed from 1 to 2 hr and reaction time was changed from 1 to 5.5 hr at 85 C. The magnetites obtained were examined by X-ray Diffraction (XRD) analysis and Scanning Electron Microscopy (SEM) technique. The average particle size range of magnetite nanoprticles were 90-120 nm and 120-150 nm in each process. The maximum yied percentages of magnetite based on FeSO4 in both processing were found to be 46.30% and 60.72%. The precent yields of magnetite in both preparation based on theoretical yields were 91.02% and 94.83% respectively.

Explicit solution of Calderon preconditioned time domain integral equations

KAUST Repository

Ulku, Huseyin Arda; Bagci, Hakan; Michielssen, Eric

2013-01-01

operators and a PE(CE)m type linear multistep to march on in time. Unlike its implicit counterpart, the proposed explicit solver requires the solution of an MOT system with a Gram matrix that is sparse and well-conditioned independent of the time step size

Physical attraction to reliable, low variability nervous systems: Reaction time variability predicts attractiveness.

Science.gov (United States)

Butler, Emily E; Saville, Christopher W N; Ward, Robert; Ramsey, Richard

2017-01-01

The human face cues a range of important fitness information, which guides mate selection towards desirable others. Given humans' high investment in the central nervous system (CNS), cues to CNS function should be especially important in social selection. We tested if facial attractiveness preferences are sensitive to the reliability of human nervous system function. Several decades of research suggest an operational measure for CNS reliability is reaction time variability, which is measured by standard deviation of reaction times across trials. Across two experiments, we show that low reaction time variability is associated with facial attractiveness. Moreover, variability in performance made a unique contribution to attractiveness judgements above and beyond both physical health and sex-typicality judgements, which have previously been associated with perceptions of attractiveness. In a third experiment, we empirically estimated the distribution of attractiveness preferences expected by chance and show that the size and direction of our results in Experiments 1 and 2 are statistically unlikely without reference to reaction time variability. We conclude that an operating characteristic of the human nervous system, reliability of information processing, is signalled to others through facial appearance. Copyright © 2016 Elsevier B.V. All rights reserved.

The Effects of Reaction Variables on Solution Polymerization of Vinyl Acetate and Molecular Weight of Poly(vinyl alcohol Using Taguchi Experimental Design

Directory of Open Access Journals (Sweden)

M.H. Navarchian

2009-12-01

Full Text Available Poly(vinyl acetate is synthesized via solution polymerization, and then it is converted to poly(vinyl alcohol by alkaline alcoholysis. The aim of the work study was to investigate statistically the  influence of reaction variables in vinyl acetate polymerization, the conversion of this monomer to polymer, degree of branching of acetyl group in poly(vinyl acetate, as well as the molecular weight of poly(vinyl alcohol, using Taguchi experimental design approach. The reaction variables were polymerization time, molar ratio of initiator to monomer, and volume ratio of monomer to solvent. The statistical analysis of variance of the results revealed that all factors have significantly influenced the conversion and degree of branching. Volume ratio of monomer to solvent is the only factor affecting the molecular weight of poly(vinyl alcohol, and has the greatest influence on all responses. By increasing this ratio, the conversion, degree of branching of acetyl group in poly(vinyl acetate, and molecular weight of poly(vinyl alcohol were increased.

Radiolysis of spray solutions

International Nuclear Information System (INIS)

Habersbergerova, A.; Janovsky, I.

1985-01-01

The factors were studied affecting thiosulfate radiolysis in the so-called spray solution for nuclear power plant containments. The reaction mechanism of primary radiolytic reactions leading to thiosulfate decomposition was studied using pulse radiolysis. Also measured was hydrazine loss in the irradiation of the bubbling solution intended for the capture of volatile chemical forms of radioiodine. Pulse radiolysis was used to study the kinetics of hydrazine reaction with elemental iodine. (author)

Destruction of oxalate by reaction with hydrogen peroxide. [Hydrazine oxalate

Energy Technology Data Exchange (ETDEWEB)

Mailen, J.C.; Tallent, O.K.; Arwood, P.C.

1981-09-01

The destruction of oxalate by oxidation to carbon dioxide using hydrogen peroxide was studied as an alternative method for the disposal of oxalate in connection with the possible use of an aqueous hydrazine oxalate solution as a scrubbing agent for solvent cleanup in processes for the recovery of uranium, plutonium, and thorium by solvent extraction. The rate of oxidation of oxalate by hydrogen peroxide in acid solution at the reflux temperature was adequate for process application; reaction half-times at 100/sup 0/C were less than one hour when the hydrogen peroxide concentration was greater than 0.5 M. The reaction was first order with respect to both the oxalate and hydrogen peroxide concentrations and had an activation energy of 58.7 kJ/g-mol. The rate increased with the hydrogen ion concentration as (H/sup +/)/sup 0/ /sup 3/ but was not significantly affected by the presence of 100 ppM of uranium or copper in solution. In the near-neutral hydrazine oxalate solutions, the reaction of either component with hydrogen peroxide was too slow for process application.

Reaction rate calculations via transmission coefficients

International Nuclear Information System (INIS)

Feit, M.D.; Alder, B.J.

1985-01-01

The transmission coefficient of a wavepacket traversing a potential barrier can be determined by steady state calculations carried out in imaginary time instead of by real time dynamical calculations. The general argument is verified for the Eckart barrier potential by a comparison of transmission coefficients calculated from real and imaginary time solutions of the Schroedinger equation. The correspondence demonstrated here allows a formulation for the reaction rate that avoids difficulties due to both rare events and explicitly time dependent calculations. 5 refs., 2 figs

Delay differential equations and the dose-time dependence of early radiotherapy reactions

International Nuclear Information System (INIS)

Fenwick, John D.

2006-01-01

The dose-time dependence of early radiotherapy reactions impacts on the design of accelerated fractionation schedules--oral mucositis, for example, can be dose limiting for short treatments designed to avoid tumor repopulation. In this paper a framework for modeling early reaction dose-time dependence is developed. Variation of stem cell number with time after the start of a radiation schedule is modeled using a first-order delay differential equation (DDE), motivated by experimental observations linking the speed of compensatory proliferation in early reacting tissues to the degree of tissue damage. The modeling suggests that two types of early reaction radiation response are possible, stem cell numbers either monotonically approaching equilibrium plateau levels or overshooting before returning to equilibrium. Several formulas have been derived from the delay differential equation, predicting changes in isoeffective total radiation dose with schedule duration for different types of fractionation scheme. The formulas have been fitted to a wide range of published animal early reaction data, the fits all implying a degree of overshoot. Results are presented illustrating the scope of the delay differential model: most of the data are fitted well, although the model struggles with a few datasets measured for schedules with distinctive dose-time patterns. Ways of extending the current model to cope with these particular dose-time patterns are briefly discussed. The DDE approach is conceptually more complex than earlier descriptive dose-time models but potentially more powerful. It can be used to study issues not addressed by simpler models, such as the likely effects of increasing or decreasing the dose-per-day over time, or of splitting radiation courses into intense segments separated by gaps. It may also prove useful for modeling the effects of chemoirradiation

Delay differential equations and the dose-time dependence of early radiotherapy reactions.

Science.gov (United States)

Fenwick, John D

2006-09-01

The dose-time dependence of early radiotherapy reactions impacts on the design of accelerated fractionation schedules--oral mucositis, for example, can be dose limiting for short treatments designed to avoid tumor repopulation. In this paper a framework for modeling early reaction dose-time dependence is developed. Variation of stem cell number with time after the start of a radiation schedule is modeled using a first-order delay differential equation (DDE), motivated by experimental observations linking the speed of compensatory proliferation in early reacting tissues to the degree of tissue damage. The modeling suggests that two types of early reaction radiation response are possible, stem cell numbers either monotonically approaching equilibrium plateau levels or overshooting before returning to equilibrium. Several formulas have been derived from the delay differential equation, predicting changes in isoeffective total radiation dose with schedule duration for different types of fractionation scheme. The formulas have been fitted to a wide range of published animal early reaction data, the fits all implying a degree of overshoot. Results are presented illustrating the scope of the delay differential model: most of the data are fitted well, although the model struggles with a few datasets measured for schedules with distinctive dose-time patterns. Ways of extending the current model to cope with these particular dose-time patterns are briefly discussed. The DDE approach is conceptually more complex than earlier descriptive dose-time models but potentially more powerful. It can be used to study issues not addressed by simpler models, such as the likely effects of increasing or decreasing the dose-per-day over time, or of splitting radiation courses into intense segments separated by gaps. It may also prove useful for modeling the effects of chemoirradiation.

Photochemical redox reactions of copper(II)-alanine complexes in aqueous solutions.

Science.gov (United States)

Lin, Chen-Jui; Hsu, Chao-Sheng; Wang, Po-Yen; Lin, Yi-Liang; Lo, Yu-Shiu; Wu, Chien-Hou

2014-05-19

The photochemical redox reactions of Cu(II)/alanine complexes have been studied in deaerated solutions over an extensive range of pH, Cu(II) concentration, and alanine concentration. Under irradiation, the ligand-to-metal charge transfer results in the reduction of Cu(II) to Cu(I) and the concomitant oxidation of alanine, which produces ammonia and acetaldehyde. Molar absorptivities and quantum yields of photoproducts for Cu(II)/alanine complexes at 313 nm are characterized mainly with the equilibrium Cu(II) speciation where the presence of simultaneously existing Cu(II) species is taken into account. By applying regression analysis, individual Cu(I) quantum yields are determined to be 0.094 ± 0.014 for the 1:1 complex (CuL) and 0.064 ± 0.012 for the 1:2 complex (CuL2). Individual quantum yields of ammonia are 0.055 ± 0.007 for CuL and 0.036 ± 0.005 for CuL2. Individual quantum yields of acetaldehyde are 0.030 ± 0.007 for CuL and 0.024 ± 0.007 for CuL2. CuL always has larger quantum yields than CuL2, which can be attributed to the Cu(II) stabilizing effect of the second ligand. For both CuL and CuL2, the individual quantum yields of Cu(I), ammonia, and acetaldehyde are in the ratio of 1.8:1:0.7. A reaction mechanism for the formation of the observed photoproducts is proposed.

Assessment of pedophilic sexual interest with an attentional choice reaction time task.

Science.gov (United States)

Mokros, Andreas; Dombert, Beate; Osterheider, Michael; Zappalà, Angelo; Santtila, Pekka

2010-10-01

Choice-reaction time (CRT) is an experimental information-processing paradigm. Based on an interference effect in visual attention, the CRT method has been shown to be suitable for measuring sexual orientation in men and women. The present study assessed the potential of the CRT to identify deviant (i.e., pedophilic) sexual interest. Participants were patients from forensic-psychiatric hospitals: 21 child molesters and 21 non-sex offenders. The dependent variable was reaction time in an ostensible seek-and-locate task (i.e., identifying the position of a dot superimposed on a picture of a person). There was an interaction effect between stimulus age category and participant group status: Child molesters took longer to respond to pictures of children relative to pictures of adults. Non-sex offenders showed an opposite pattern (i.e., longer reaction times with pictures of adults than with pictures of children). In addition, the data supported the notion of sexual content induced delay: Subjects took longer for the task with nude stimuli than with clothed ones. A subtractive preference index, derived from the reaction times for child and adult stimulus material, allowed distinguishing participants from both groups almost perfectly (ROC-AUC = .998). We conclude that a match of sexual interest with properties of visual stimuli led to a cognitive interference effect: Attentional resources were drawn from the ostensible task of locating the dot towards exploring the picture. This opens up the possibility of using this interference effect (i.e., the delay of response times) for diagnostic purposes.

Chemical kinetics and reaction mechanism

International Nuclear Information System (INIS)

Jung, Ou Sik; Park, Youn Yeol

1996-12-01

This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.

Transcriptional dynamics with time-dependent reaction rates

Science.gov (United States)

Nandi, Shubhendu; Ghosh, Anandamohan

2015-02-01

Transcription is the first step in the process of gene regulation that controls cell response to varying environmental conditions. Transcription is a stochastic process, involving synthesis and degradation of mRNAs, that can be modeled as a birth-death process. We consider a generic stochastic model, where the fluctuating environment is encoded in the time-dependent reaction rates. We obtain an exact analytical expression for the mRNA probability distribution and are able to analyze the response for arbitrary time-dependent protocols. Our analytical results and stochastic simulations confirm that the transcriptional machinery primarily act as a low-pass filter. We also show that depending on the system parameters, the mRNA levels in a cell population can show synchronous/asynchronous fluctuations and can deviate from Poisson statistics.

Transcriptional dynamics with time-dependent reaction rates

International Nuclear Information System (INIS)

Nandi, Shubhendu; Ghosh, Anandamohan

2015-01-01

Transcription is the first step in the process of gene regulation that controls cell response to varying environmental conditions. Transcription is a stochastic process, involving synthesis and degradation of mRNAs, that can be modeled as a birth–death process. We consider a generic stochastic model, where the fluctuating environment is encoded in the time-dependent reaction rates. We obtain an exact analytical expression for the mRNA probability distribution and are able to analyze the response for arbitrary time-dependent protocols. Our analytical results and stochastic simulations confirm that the transcriptional machinery primarily act as a low-pass filter. We also show that depending on the system parameters, the mRNA levels in a cell population can show synchronous/asynchronous fluctuations and can deviate from Poisson statistics. (paper)

Errors in Postural Preparation Lead to Increased Choice Reaction Times for Step Initiation in Older Adults

Science.gov (United States)

Nutt, John G.; Horak, Fay B.

2011-01-01

Background. This study asked whether older adults were more likely than younger adults to err in the initial direction of their anticipatory postural adjustment (APA) prior to a step (indicating a motor program error), whether initial motor program errors accounted for reaction time differences for step initiation, and whether initial motor program errors were linked to inhibitory failure. Methods. In a stepping task with choice reaction time and simple reaction time conditions, we measured forces under the feet to quantify APA onset and step latency and we used body kinematics to quantify forward movement of center of mass and length of first step. Results. Trials with APA errors were almost three times as common for older adults as for younger adults, and they were nine times more likely in choice reaction time trials than in simple reaction time trials. In trials with APA errors, step latency was delayed, correlation between APA onset and step latency was diminished, and forward motion of the center of mass prior to the step was increased. Participants with more APA errors tended to have worse Stroop interference scores, regardless of age. Conclusions. The results support the hypothesis that findings of slow choice reaction time step initiation in older adults are attributable to inclusion of trials with incorrect initial motor preparation and that these errors are caused by deficits in response inhibition. By extension, the results also suggest that mixing of trials with correct and incorrect initial motor preparation might explain apparent choice reaction time slowing with age in upper limb tasks. PMID:21498431

Explore the reaction mechanism of the Maillard reaction: a density functional theory study.

Science.gov (United States)

Ren, Ge-Rui; Zhao, Li-Jiang; Sun, Qiang; Xie, Hu-Jun; Lei, Qun-Fang; Fang, Wen-Jun

2015-05-01

The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8 kcal mol(-1) in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated.

Nonlinear many-body reaction theories from nuclear mean field approximations

International Nuclear Information System (INIS)

Griffin, J.J.

1983-01-01

Several methods of utilizing nonlinear mean field propagation in time to describe nuclear reaction have been studied. The property of physical asymptoticity is analyzed in this paper, which guarantees that the prediction by a reaction theory for the physical measurement of internal fragment properties shall not depend upon the precise location of the measuring apparatus. The physical asymptoticity is guaranteed in the Schroedinger collision theory of a scuttering system with translationally invariant interaction by the constancy of the S-matrix elements and by the translational invariance of the internal motion for well-separated fragments. Both conditions are necessary for the physical asymptoticity. The channel asymptotic single-determinantal propagation can be described by the Dirac-TDHF (time dependent Hartree-Fock) time evolution. A new asymptotic Hartree-Fock stationary phase (AHFSP) description together with the S-matrix time-dependent Hartree-Fock (TD-S-HF) theory constitute the second example of a physically asymptotic nonlinear many-body reaction theory. A review of nonlinear mean field many-body reaction theories shows that initial value TDHF is non-asymptotic. The TD-S-HF theory is asymptotic by the construction. The gauge invariant periodic quantized solution of the exact Schroedinger problem has been considered to test whether it includes all of the exact eigenfunctions as it ought to. It did, but included as well an infinity of all spurions solutions. (Kato, T.)

The influenced of reaction time on the degradation of palm oil empty fruit bunch (EFB) in hydrothermal carbonization

Science.gov (United States)

Sarwono, Rakhman; Kurniawan, Hendris Hendarsyah

2017-11-01

Hydrothermal carbonization (HTC) of empty fruit bunch (EFB) of palm oil in different reaction times were investigated. Experiments were carried out in an autoclave at different reaction time of 3,6,9, 15, 20, 25 and 40 hours. With a fixed solid/liquid ratio of 5 gram of EFB in 50 ml water as a solvent, and temperature reaction of 250 °C. Increase the reaction time the soluble products are also increased. The liquid products were analyzed using GCMS to determine the chemical composition. The chemical composition were greatly affected by the reaction time. The main component was glycolic acid, by increasing the reaction time made the varieties of chemical compositions in liquid products, especially for the glycolic acid component, it was decreased slightly. The higher heating value (HHV) also increase slighly by increasing the reaction time both solid and liquid products.

Competitive autocatalytic reactions in chaotic flows with diffusion: Prediction using finite-time Lyapunov exponents

International Nuclear Information System (INIS)

Schlick, Conor P.; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

2014-01-01

We investigate chaotic advection and diffusion in autocatalytic reactions for time-periodic sine flow computationally using a mapping method with operator splitting. We specifically consider three different autocatalytic reaction schemes: a single autocatalytic reaction, competitive autocatalytic reactions, which can provide insight into problems of chiral symmetry breaking and homochirality, and competitive autocatalytic reactions with recycling. In competitive autocatalytic reactions, species B and C both undergo an autocatalytic reaction with species A such that A+B→2B and A+C→2C. Small amounts of initially spatially localized B and C and a large amount of spatially homogeneous A are advected by the velocity field, diffuse, and react until A is completely consumed and only B and C remain. We find that local finite-time Lyapunov exponents (FTLEs) can accurately predict the final average concentrations of B and C after the reaction completes. The species that starts in the region with the larger FTLE has, with high probability, the larger average concentration at the end of the reaction. If B and C start in regions with similar FTLEs, their average concentrations at the end of the reaction will also be similar. When a recycling reaction is added, the system evolves towards a single species state, with the FTLE often being useful in predicting which species fills the entire domain and which is depleted. The FTLE approach is also demonstrated for competitive autocatalytic reactions in journal bearing flow, an experimentally realizable flow that generates chaotic dynamics

Path integral solution for some time-dependent potential

International Nuclear Information System (INIS)

Storchak, S.N.

1989-12-01

The quantum-mechanical problem with a time-dependent potential is solved by the path integral method. The solution is obtained by the application of the previously derived general formula for rheonomic homogeneous point transformation and reparametrization in the path integral. (author). 4 refs

Fluctuating twistor-beam solutions and Pre-Quantum Kerr-Schild geometry

Energy Technology Data Exchange (ETDEWEB)

Burinskii, Alexander, E-mail: bur@ibrae.ac.r [Laboratory of Theoretical Physics, NSI Russian Academy of Sciences, B.Tulskaya 52, Moscow, 115191 (Russian Federation)

2010-04-01

Kerr-Schild (KS) geometry is based on a congruence of twistors which is determined by the Kerr theorem. We describe time-dependent KS solutions for electromagnetic excitations of black-holes taking into account the consistent back-reaction to metric. The exact solutions have the form of singular beam-like pulses supported on twistor null lines of the Kerr congruence. The twistor-beams have very strong back reaction to metric and BH horizon and produce a fluctuating KS geometry which takes an intermediate position between the Classical and Quantum gravity.

Fluctuating twistor-beam solutions and Pre-Quantum Kerr-Schild geometry

International Nuclear Information System (INIS)

Burinskii, Alexander

2010-01-01

Kerr-Schild (KS) geometry is based on a congruence of twistors which is determined by the Kerr theorem. We describe time-dependent KS solutions for electromagnetic excitations of black-holes taking into account the consistent back-reaction to metric. The exact solutions have the form of singular beam-like pulses supported on twistor null lines of the Kerr congruence. The twistor-beams have very strong back reaction to metric and BH horizon and produce a fluctuating KS geometry which takes an intermediate position between the Classical and Quantum gravity.

Reaction mechanisms and evaluation of effective process operation for catalytic oxidation and coagulation by ferrous solution and hydrogen peroxide

Energy Technology Data Exchange (ETDEWEB)

Lee, S.H.; Moon, H.J.; Kim, Y.M. [Dept. of Environmental Engineering, Sangmyung Univ., Cheonan (Korea); Bae, W.K. [Dept. of Civil and Environmental Engineering, Hanyang Univ., Ansan, Kyounggi (Korea)

2003-07-01

This research was carried out to evaluate the removal efficiencies of COD{sub cr} and colour for the dyeing wastewater by ferrous solution and the different dosage of H{sub 2}O{sub 2} in Fenton process. In the case of H{sub 2}O{sub 2} divided dosage, 7:3 was more effective than 3:7 to remove COD{sub cr} and colour. The results showed that COD was mainly removed by Fenton coagulation, where the ferric ions are formed in the initial step of Fenton reaction. On the other hand colour was removed by Fenton oxidation rather than Fenton coagulation. This paper also aims at pursuing to investigate the effective removal mechanisms using ferrous ion coagulation, ferric ion coagulation and Fenton oxidation process. The removal mechanism of COD{sub cr} and colour was mainly coagulation by ferrous ion, ferric ion and Fenton oxidation. The removal efficiencies were dependent on the ferric ion amount at the beginning of the reaction. However the final removal efficiency of COD and colour was in the order of Fenton oxidation, ferric ion coagulation and ferrous ion coagulation. The reason of the highest removal efficiency by Fenton oxidation can be explained by the chain reactions with ferrous solution, ferric ion and hydrogen peroxide. (orig.)

On the deduction of chemical reaction pathways from measurements of time series of concentrations.

Science.gov (United States)

Samoilov, Michael; Arkin, Adam; Ross, John

2001-03-01

We discuss the deduction of reaction pathways in complex chemical systems from measurements of time series of chemical concentrations of reacting species. First we review a technique called correlation metric construction (CMC) and show the construction of a reaction pathway from measurements on a part of glycolysis. Then we present two new improved methods for the analysis of time series of concentrations, entropy metric construction (EMC), and entropy reduction method (ERM), and illustrate (EMC) with calculations on a model reaction system. (c) 2001 American Institute of Physics.

The influence of the "cage" effect on the mechanism of reversible bimolecular multistage chemical reactions proceeding from different sites in solutions.

Science.gov (United States)

Doktorov, Alexander B

2016-08-28

Manifestations of the "cage" effect at the encounters of reactants have been theoretically treated on the example of multistage reactions (including bimolecular exchange reactions as elementary stages) proceeding from different active sites in liquid solutions. It is shown that for reactions occurring near the contact of reactants, consistent consideration of quasi-stationary kinetics of such multistage reactions (possible in the framework of the encounter theory only) can be made on the basis of chemical concepts of the "cage complex," just as in the case of one-site model described in the literature. Exactly as in the one-site model, the presence of the "cage" effect gives rise to new channels of reactant transformation that cannot result from elementary event of chemical conversion for the given reaction mechanism. Besides, the multisite model demonstrates new (as compared to one-site model) features of multistage reaction course.

On the search for an appropriate metric for reaction time to suprathreshold increments and decrements.

Science.gov (United States)

Vassilev, Angel; Murzac, Adrian; Zlatkova, Margarita B; Anderson, Roger S

2009-03-01

Weber contrast, DeltaL/L, is a widely used contrast metric for aperiodic stimuli. Zele, Cao & Pokorny [Zele, A. J., Cao, D., & Pokorny, J. (2007). Threshold units: A correct metric for reaction time? Vision Research, 47, 608-611] found that neither Weber contrast nor its transform to detection-threshold units equates human reaction times in response to luminance increments and decrements under selective rod stimulation. Here we show that their rod reaction times are equated when plotted against the spatial luminance ratio between the stimulus and its background (L(max)/L(min), the larger and smaller of background and stimulus luminances). Similarly, reaction times to parafoveal S-cone selective increments and decrements from our previous studies [Murzac, A. (2004). A comparative study of the temporal characteristics of processing of S-cone incremental and decremental signals. PhD thesis, New Bulgarian University, Sofia, Murzac, A., & Vassilev, A. (2004). Reaction time to S-cone increments and decrements. In: 7th European conference on visual perception, Budapest, August 22-26. Perception, 33, 180 (Abstract).], are better described by the spatial luminance ratio than by Weber contrast. We assume that the type of stimulus detection by temporal (successive) luminance discrimination, by spatial (simultaneous) luminance discrimination or by both [Sperling, G., & Sondhi, M. M. (1968). Model for visual luminance discrimination and flicker detection. Journal of the Optical Society of America, 58, 1133-1145.] determines the appropriateness of one or other contrast metric for reaction time.

Bibliographies on radiation chemistry: Pt. 12; Rate constants for reactions of nonmetallic inorganic radicals in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Helman, W P; Ross, A B [Notre Dame Univ., IN (USA). Radiation Chemistry Data Center

1990-01-01

Rate constants have been determined by pulse radiolysis, flash photolysis, and other methods, for a wide variety of reactions involving transient radicals in aqueous solution. Reliable rate constants have been established for reactions of radicals from water (e{sub aq}{sup -}, {center dot}H, {center dot}OH/{center dot}O{sup -}) and the data have been tabulated (Buxton, 1988) through 1986. Kinetic data for HO{sub 2}{center dot}/O{sub 2}{center dot}{sup -} were tabulated. (Bielski, 1985) from papers published through 1983. A compilation of rate constants, from the literature through Mid-1987, for other nonmetallic inorganic radicals has also appeared recently (Neta, 1988). Together, these compilations contain rate constants for more than 6,000 different reactions, reported in about 2,000 references. The present bibliography provides a list of relevant references which have been collected since the publication of the above-mentioned compilations. The list contains references received through the end of December, 1989. (author).

PRODUCTION, DIELECTRIC PROPERTY AND MICROWAVE ABSORPTION PROPERTY OF SiC(Fe SOLID SOLUTION POWDER BY SOL-GEL METHOD

Directory of Open Access Journals (Sweden)

XIAOLEI SU

2014-03-01

Full Text Available SiC(Fe solid solution powders were synthesized by sol–gel method under different reaction time, using methyltriethoxysilane as the silicon and carbon source and analytic ferric chloride as the dopant, respectively. The synthesized powders have been characterized by XRD, SEM and Raman spectra. Results show that the lattice constant decreases with increasing reaction time. The electric permittivities of SiC samples were determined in the frequency range of 8.2 ~ 12.4 GHz. Results show that the permittivity of SiC decreases with increasing reaction time. The SiC(Fe solid solution powder with reaction time of 4 h with 2 mm thickness exhibit the best microwave absorption property in X-band range (8.2 - 12.4 GHz. The microwave absorption mechanism has been discussed.

Reaction time, processing speed and sustained attention in schizophrenia: impact on social functioning.

Science.gov (United States)

Lahera, Guillermo; Ruiz, Alicia; Brañas, Antía; Vicens, María; Orozco, Arantxa

Previous studies have linked processing speed with social cognition and functioning of patients with schizophrenia. A discriminant analysis is needed to determine the different components of this neuropsychological construct. This paper analyzes the impact of processing speed, reaction time and sustained attention on social functioning. 98 outpatients between 18 and 65 with DSM-5 diagnosis of schizophrenia, with a period of 3 months of clinical stability, were recruited. Sociodemographic and clinical data were collected, and the following variables were measured: processing speed (Trail Making Test [TMT], symbol coding [BACS], verbal fluency), simple and elective reaction time, sustained attention, recognition of facial emotions and global functioning. Processing speed (measured only through the BACS), sustained attention (CPT) and elective reaction time (but not simple) were associated with functioning. Recognizing facial emotions (FEIT) correlated significantly with scores on measures of processing speed (BACS, Animals, TMT), sustained attention (CPT) and reaction time. The linear regression model showed a significant relationship between functioning, emotion recognition (P=.015) and processing speed (P=.029). A deficit in processing speed and facial emotion recognition are associated with worse global functioning in patients with schizophrenia. Copyright © 2017 SEP y SEPB. Publicado por Elsevier España, S.L.U. All rights reserved.

Five different tests of reaction time evaluated in HIV seropositive men.

Science.gov (United States)

Dunlop, O; Bjørklund, R A; Abdelnoor, M; Myrvang, B

1992-09-01

In an attempt to develop a short neuropsychological test battery five different tests of reaction time were assessed according to their ability to discriminate between HIV seropositive men and healthy controls. In all tests a patient group with clinical symptoms was slower than the control group. In the complex reaction time test, which has a large cognitive aspect, even a clinically "asymptomatic" group was slower than the control group. The movement test, a new test with a large motor component, identified most slow responders, defining approximately half of the patients with clinical symptoms and one third of the "asymptomatic" patients as such. A test battery consisting of three tests is suggested for serial assessment and screening.

Exact solutions of time-dependent Dirac equations and the quantum-classical correspondence

International Nuclear Information System (INIS)

Zhang Zhiguo

2006-01-01

Exact solutions to the Dirac equations with a time-dependent mass and a static magnetic field or a time-dependent linear potential are given. Matrix elements of the coordinate, momentum and velocity operator are calculated. In the large quantum number limit, these matrix elements give the classical solution

Sex hormone manipulation slows reaction time and increases labile mood in healthy women

DEFF Research Database (Denmark)

Stenbæk, D. S.; Fisher, P M; Budtz-Jørgensen, E.

2016-01-01

: In a randomized controlled double-blinded trial, 61 healthy women (mean age 24.3±4.9 years) were tested with measures of affective verbal memory, reaction time, mental distress, and serotonin transporter binding at baseline and at follow-up after receiving gonadotropin-releasing hormone agonist (GnRHa) or placebo...... intervention. Women also reported daily mood profiles during intervention. We tested direct effects of intervention and indirect effects through changes in serotonin transporter binding on verbal affective memory, simple reaction time and self-reported measures of mental distress, and further effects of Gn......RHa on daily mood. RESULTS: GnRHa induced an increase in simple reaction time (p=0.03) and more pronounced fluctuations in daily self-reported mood in a manner dependent on baseline mood (p=0.003). Verbal affective memory recall, overall self-perceived mental distress, and serotonin transporter binding were...

A Theoretical Analysis of the Reaction Between Ethyl and Molecular Oxygen

National Research Council Canada - National Science Library

Miller, James A; Klippenstein, Stephen J; Robertson, Struan H

2000-01-01

Using a combination of electronic-structure theory, variational transition-state theory, and solutions to the time-dependent master equation, we have studied the kinetics of the reaction between ethyl...

Long term corrosion behavior of the WAK-HLW glass in salt solutions

International Nuclear Information System (INIS)

Luckscheiter, B.; Nesovic, M.

1998-01-01

The corrosion behavior of the HLW glass GP WAK1 containing simulated HLW oxides from the WAK reprocessing plant in Karlsruhe is investigated in long-term corrosion experiments at high S/V ratios in two reference brines at 110 and 190 C. In case of the MgCl 2 -rich solution the leachate becomes increasingly acid with reaction time up to a final pH of about 3.5 at 190 C. In the NaCl-rich solution the pH rises to about 8.5 after one year of reaction. The release of soluble elements in MgCl 2 solution, under Si-saturated conditions, is proportional to the surface area of the sample and the release increases at 190 C according to a t 1/2 rate law. This time dependence may be an indication of diffusion controlled matrix dissolution. However, at 110 C the release of the mobile elements cannot be described by a t 1/2 rate law as the time exponents are much lower than 0.5. This difference in corrosion behavior may be explained by the higher pH of about 5 at 110 C. In case of NaCl solution under alkaline conditions, the release of soluble elements is not proportional to the surface area of the sample and it increases with time exponents much lower than 0.5. After one year of reaction at 190 C a sharp increase of the release values of some elements was observed. This increase might be explained by the high pH of the solution attained after one year. The corrosion mechanism in NaCl solution, as well as in MgCl 2 solution at 110 C, has not yet been explained. By corrosion experiments in water at constant pH values between 2 and 10, it could be shown that the time exponents of the release of Li and B decrease with increasing pH of the solution. This result can explain qualitatively the differences found in the corrosion behavior of the glass under the various conditions

Reaction mechanism of hydroxymaleimide induced by γ-irradiation in alcohol solvents

International Nuclear Information System (INIS)

Nakagawa, Seiko

2010-01-01

Methanol and 2-propanol solutions of hydroxymaleimide were irradiated with γ-ray and mechanism of its γ-irradiation-induced reactions was investigated through final-product analyses using high performance liquid chromatography (HPLC) coupled with mass spectroscopy. An addition reaction of a solvent radical toward hydroxymaleimide was dominant among its oxygen-free γ-irradiation-induced reactions in its alcohol solutions while it is known that electron attachment toward hydroxyphthalimide or hydroxysuccinimide is dominant among their γ-irradiation-induced reactions. The radical adduct abstracts hydrogen from solvent molecule to re-produce a solvent radical. Therefore, the degradation efficiency of hydroxymaleimide was more than ten times larger than that of hydroxyphthalimide and hydroxysuccinimide. Dimer was also produced through electron attachment process in the solutions of hydroxymaleimide. In addition, it was found that the degradation efficiency increased with decrease in dose rate. An additional reaction of a solvent radical toward hydroxymaleimide competes with a radical-radical recombination. The latter was reduced, with the former leading to efficient degradation of hydroxymaleimide increased by irradiation at lower dose rate. On the contrary, the production yield of the adduct radical as well as the degradation efficiency of hydroxymaleimide was inhibited in the presence of oxygen.

Reaction mechanism of hydroxymaleimide induced by γ-irradiation in alcohol solvents

International Nuclear Information System (INIS)

Nakagawa, Seiko

2010-01-01

Methanol and 2-propanol solutions of hydroxymaleimide were irradiated with γ-ray and mechanism of its γ-irradiation-induced reactions was investigated through final-product analyses using high performance liquid chromatography (HPLC) coupled with mass spectroscopy. An addition reaction of a solvent radical toward hydroxymaleimide was dominant among its oxygen-free γ-irradiation-induced reactions in its alcohol solutions while it is known that electron attachment toward hydroxyphthalimide or hydroxysuccinimide is dominant among their γ-irradiation-induced reactions. The radical adduct abstracts hydrogen from solvent molecule to re-produce a solvent radical. Therefore, the degradation efficiency of hydroxymaleimide was more than 10 times larger than that of hydroxyphthalimide and hydroxysuccinimide. Dimer was also produced through electron attachment process in the solutions of hydroxymaleimide. In addition, it was found that the degradation efficiency increased with decreasing the dose rate. An addition reaction of a solvent radical toward hydroxymaleimide competes with a radical-radical recombination. The latter was reduced and the former leading to efficient degradation of hydroxymaleimide increased by irradiation at lower dose rate. On the contrary, the production yield of the adduct radical as well as the degradation efficiency of hydroxymaleimide was inhibited in the presence of oxygen.

X particle effect for 6Li reaction rates calculations

International Nuclear Information System (INIS)

Kocak, G.; Balantekin, A. B.

2009-01-01

The inferred primordial 6 L i-7 L i abundances are different from standard big bang nucleosynthesis results, 6 L i is 1000 times larger and 7 L i is 3 times smaller than the big bang prediction. In big bang nucleosynthesis, negatively charged massive X particles a possible solution to explain this primordial Li abundances problem [1]. In this study, we consider only X particle effect for nuclear reactions to obtain S-factor and reaction rates for Li. All S-factors calculated within the Optical Model framework for d(α,γ)6 L i system. We showed that the enhancement effect of massive negatively charged X particle for 6 L i system reaction rate.(author)

Determination of H-atom reaction rate constants by the competition kinetic technique using riboflavin as a standard solute [Paper No. RD-7

International Nuclear Information System (INIS)

Kishore, Kamal; Moorthy, P.N.; Rao, K.N.

1982-01-01

Riboflavin has been used as a standard solute to evaluate H-atom rate constants of other solutes by steady state radiolytic competition kinetic method. The bleaching of absorbance of riboflavin at 445 nm as a result of its reaction with H-atoms is made use of in estimating its decomposition. The merits and demerits of this method are discussed. (author)

Size Controlled Synthesis of Tellurium Nanorices by Galvanic Displacement Reaction of Aluminum

International Nuclear Information System (INIS)

Wu, Tingjun; Myung, Lawrence Youngjae; Zhang, Miluo; Lee, Kyu-Hwan; Lee, Yeheun Laura; Lim, Hyo-Ryong; Kim, Bum Sung; Choa, Yong-Ho; Myung, Nosang V.

2015-01-01

ABSTRACT: Tellurium nanostructures were synthesized by galvanic displacement reaction (GDR) of aluminum in an alkaline solution containing TeO 3 2− ions. Due to negative redox potential of Al/AlO 2 − (i.e., −2.50 V vs. sat. Ag/AgCl), TeO 3 2− (+IV) can be reduced to Te 2 2− (-I) and Te 2− (-II), which resulted in the deposition of Te (0) nanostructures in the solution via chemical reaction between Te 2 2− or Te 2− and TeO 3 2− . The deposition mechanism led to the formation of unique “rice-like” nanostructures in the solution instead of branched structures on the substrate. The sharp tips of the “rice-like” nanostructures may be attributed to the high density of surface charges at the tips. The morphology, diameter and aspect ratio of Te “rice-like” nanostructures were altered by the TeO 3 2− concentration, solution pH, reaction time and the reaction temperature. Electrochemical analytical methods, including open circuit potential (OCP) and linear polarizations (LPs), were used to investigate the reaction mechanisms. The enhancement of piezoelectric constant (d 11 ) of nanorices at small diameter was probably due to a flexoelectric effect

Mix and Inject: Reaction Initiation by Diffusion for Time-Resolved Macromolecular Crystallography

Directory of Open Access Journals (Sweden)

Marius Schmidt

2013-01-01

Full Text Available Time-resolved macromolecular crystallography unifies structure determination with chemical kinetics, since the structures of transient states and chemical and kinetic mechanisms can be determined simultaneously from the same data. To start a reaction in an enzyme, typically, an initially inactive substrate present in the crystal is activated. This has particular disadvantages that are circumvented when active substrate is directly provided by diffusion. However, then it is prohibitive to use macroscopic crystals because diffusion times become too long. With small micro- and nanocrystals diffusion times are adequately short for most enzymes and the reaction can be swiftly initiated. We demonstrate here that a time-resolved crystallographic experiment becomes feasible by mixing substrate with enzyme nanocrystals which are subsequently injected into the X-ray beam of a pulsed X-ray source.

Citric acid-modified Fenton's reaction for the oxidation of chlorinated ethylenes in soil solution systems.

Science.gov (United States)

Seol, Yongkoo; Javandel, Iraj

2008-06-01

Fenton's reagent, a solution of hydrogen peroxide and ferrous iron catalyst, is used for an in situ chemical oxidation of organic contaminants. Sulfuric acid is commonly used to create an acidic condition needed for catalytic oxidation. Fenton's reaction often involves pressure buildup and precipitation of reaction products, which can cause safety hazards and diminish efficiency. We selected citric acid, a food-grade substance, as an acidifying agent to evaluate its efficiencies for organic contaminant removal in Fenton's reaction, and examined the impacts of using citric acid on the unwanted reaction products. A series of batch and column experiments were performed with varying H2O2 concentrations to decompose selected chlorinated ethylenes. Either dissolved iron from soil or iron sulfate salt was added to provide the iron catalyst in the batch tests. Batch experiments revealed that both citric and sulfuric acid systems achieved over 90% contaminant removal rates, and the presence of iron catalyst was essential for effective decontamination. Batch tests with citric acid showed no signs of pressure accumulation and solid precipitations, however the results suggested that an excessive usage of H2O2 relative to iron catalysts (Fe2+/H2O2<1/330) would result in lowering the efficiency of contaminant removal by iron chelation in the citric acid system. Column tests confirmed that citric acid could provide suitable acidic conditions to achieve higher than 55% contaminant removal rates.

Solution of large nonlinear time-dependent problems using reduced coordinates

International Nuclear Information System (INIS)

Mish, K.D.

1987-01-01

This research is concerned with the idea of reducing a large time-dependent problem, such as one obtained from a finite-element discretization, down to a more manageable size while preserving the most-important physical behavior of the solution. This reduction process is motivated by the concept of a projection operator on a Hilbert Space, and leads to the Lanczos Algorithm for generation of approximate eigenvectors of a large symmetric matrix. The Lanczos Algorithm is then used to develop a reduced form of the spatial component of a time-dependent problem. The solution of the remaining temporal part of the problem is considered from the standpoint of numerical-integration schemes in the time domain. All of these theoretical results are combined to motivate the proposed reduced coordinate algorithm. This algorithm is then developed, discussed, and compared to related methods from the mechanics literature. The proposed reduced coordinate method is then applied to the solution of some representative problems in mechanics. The results of these problems are discussed, conclusions are drawn, and suggestions are made for related future research

Modeling the Quiet Time Outflow Solution in the Polar Cap

Science.gov (United States)

Glocer, Alex

2011-01-01

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

Intraindividual variability in reaction time predicts cognitive outcomes 5 years later.

Science.gov (United States)

Bielak, Allison A M; Hultsch, David F; Strauss, Esther; Macdonald, Stuart W S; Hunter, Michael A

2010-11-01

Building on results suggesting that intraindividual variability in reaction time (inconsistency) is highly sensitive to even subtle changes in cognitive ability, this study addressed the capacity of inconsistency to predict change in cognitive status (i.e., cognitive impairment, no dementia [CIND] classification) and attrition 5 years later. Two hundred twelve community-dwelling older adults, initially aged 64-92 years, remained in the study after 5 years. Inconsistency was calculated from baseline reaction time performance. Participants were assigned to groups on the basis of their fluctuations in CIND classification over time. Logistic and Cox regressions were used. Baseline inconsistency significantly distinguished among those who remained or transitioned into CIND over the 5 years and those who were consistently intact (e.g., stable intact vs. stable CIND, Wald (1) = 7.91, p < .01, Exp(β) = 1.49). Average level of inconsistency over time was also predictive of study attrition, for example, Wald (1) = 11.31, p < .01, Exp(β) = 1.24. For both outcomes, greater inconsistency was associated with a greater likelihood of being in a maladaptive group 5 years later. Variability based on moderately cognitively challenging tasks appeared to be particularly sensitive to longitudinal changes in cognitive ability. Mean rate of responding was a comparable predictor of change in most instances, but individuals were at greater relative risk of being in a maladaptive outcome group if they were more inconsistent rather than if they were slower in responding. Implications for the potential utility of intraindividual variability in reaction time as an early marker of cognitive decline are discussed. (c) 2010 APA, all rights reserved

Redox reactions of 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Barik, A; Priyadarsini, K I; Mohan, Hari

2004-08-01

Pulse radiolysis technique has been employed to study the reactions of oxidizing ({sup {center_dot}}OH, N{sub 3}{sup {center_dot}}) and reducing radicals (e{sup -}{sub aq}, CO{sub 2}{sup {center_dot}}{sup -}, acetone ketyl radical) with 2-hydroxy-3-methoxybenzaldehyde (o-vanillin) at different pH. Hydroxyl radicals react mostly by addition reaction forming radical adducts ({lambda}{sub max}=420 nm) and the oxidation is only a minor process even in the alkaline region. The reaction with azide radicals produced phenoxyl radicals ({lambda}{sub max}=340 nm), which are formed on fast deprotonation of solute radical cation. Using PMZ{sup {center_dot}}{sup +}/PMZ and ABTS{sup {center_dot}}{sup -}/ABTS{sup 2-} as the reference couple, different methods are employed to determine the one-electron reduction potential of o-vanillin and the average value is estimated to be 1.076{+-}0.004 V vs. NHE at pH 6. The phenoxyl radicals of o-vanillin were able to oxidize ABTS{sup 2-} quantitatively. The e{sub aq}{sup -} is observed to react with o-vanillin with rate constant value of 2x10{sup 10} dm{sup 3} mol{sup -1} s{sup -1}. CO{sub 2}{sup {center_dot}}{sup -} and acetone ketyl radical are also observed to react with o-vanillin by electron transfer mechanism and showed the formation of transient absorption bands with {lambda}{sub max} at 350 and 390 nm at pH 4.5 and 9.7, respectively. The pK{sub a} of the one-electron reduced species was determined to be 8.1. The results indicate that the aldehydic group is the most preferred site for electron addition.

Periodic and solitary wave solutions of cubic–quintic nonlinear ...

Indian Academy of Sciences (India)

Hence, most of the real nonlinear physical equations possess variable ... evolution of the system with time and second term represents the convective flux term. The ... Travelling wave solutions of nonlinear reaction-diffusion equations are.

Facile synthesis of dendritic Cu by electroless reaction of Cu-Al alloys in multiphase solution

Science.gov (United States)

Wang, Ying; Liang, Shuhua; Yang, Qing; Wang, Xianhui

2016-11-01

Two-dimensional nano- or micro-scale fractal dendritic coppers (FDCs) were synthesized by electroless immersing of Cu-Al alloys in hydrochloric acid solution containing copper chloride without any assistance of template or surfactant. The FDC size increases with the increase of Al content in Cu-Al alloys immersed in CuCl2 + HCl solution. Compared to Cu40Al60 and Cu45Al55 alloys, the FDC shows hierarchical distribution and homogeneous structures using Cu17Al83 alloy as the starting alloy. The growth direction of the FDC is , and all angles between the trunks and branches are 60°. Nanoscale Cu2O was found at the edge of FDC. Interestingly, nanoporous copper (NPC) can also be obtained through Cu17Al83 alloy. Studies showed that the formation of FDC depended on two key factors: the potential difference between CuAl2 intermetallic and α-Al phase of dual-phase Cu-Al alloys; a replacement reaction that usually occurs in multiphase solution. The electrochemical experiment further proved that the multi-branch dendritic structure is very beneficial to the proton transfer in the process of catalyzing methanol.

Striatal lesions produce distinctive impairments in reaction time performance in two different operant chambers.

Science.gov (United States)

Brasted, P J; Döbrössy, M D; Robbins, T W; Dunnett, S B

1998-08-01

The dorsal striatum plays a crucial role in mediating voluntary movement. Excitotoxic striatal lesions in rats have previously been shown to impair the initiation but not the execution of movement in a choice reaction time task in an automated lateralised nose-poke apparatus (the "nine-hole box"). Conversely, when a conceptually similar reaction time task has been applied in a conventional operant chamber (or "Skinner box"), striatal lesions have been seen to impair the execution rather than the initiation of the lateralised movement. The present study was undertaken to compare directly these two results by training the same group of rats to perform a choice reaction time task in the two chambers and then comparing the effects of a unilateral excitotoxic striatal lesion in both chambers in parallel. Particular attention was paid to adopting similar parameters and contingencies in the control of the task in the two test chambers. After striatal lesions, the rats showed predominantly contralateral impairments in both tasks. However, they showed a deficit in reaction time in the nine-hole box but an apparent deficit in response execution in the Skinner box. This finding confirms the previous studies and indicates that differences in outcome are not simply attributable to procedural differences in the lesions, training conditions or tasks parameters. Rather, the pattern of reaction time deficit after striatal lesions depends critically on the apparatus used and the precise response requirements for each task.

Opposite effects of sleep deprivation on the continuous reaction times in patients with liver cirrhosis and normal persons.

Science.gov (United States)

Lauridsen, Mette Munk; Frøjk, Jesper; de Muckadell, Ove B Schaffalitzky; Vilstrup, Hendrik

2014-09-01

The continuous reaction times (CRT) method describes arousal functions. Reaction time instability in a patient with liver disease indicates covert hepatic encephalopathy (cHE). The effects of sleep deprivation are unknown although cirrhosis patients frequently suffer from sleep disorders. The aim of this study was to determine if sleep deprivation influences the CRT test. Eighteen cirrhosis patients and 27 healthy persons were tested when rested and after one night's sleep deprivation. The patients filled out validated sleep quality questionnaires. Seven patients (38%) had unstable reaction times (a CRTindex sleep that was not related to their CRT tests before or after the sleep deprivation. In the healthy participants, the sleep deprivation slowed their reaction times by 11% (p sleep deprivation normalized or improved the reaction time stability of the patients with a CRTindex below 1.9 and had no effect in the patients with a CRTindex above 1.9. There was no relation between reported sleep quality and reaction time results. Thus, in cirrhosis patients, sleep disturbances do not lead to 'falsely' slowed and unstable reaction times. In contrast, the acute sleep deprivation slowed and destabilized the reaction times of the healthy participants. This may have negative consequences for decision-making.

Is Reaction Time Variability in ADHD Mainly at Low Frequencies?

Science.gov (United States)

Karalunas, Sarah L.; Huang-Pollock, Cynthia L.; Nigg, Joel T.

2013-01-01

Background: Intraindividual variability in reaction times (RT variability) has garnered increasing interest as an indicator of cognitive and neurobiological dysfunction in children with attention deficit hyperactivity disorder (ADHD). Recent theory and research has emphasized specific low-frequency patterns of RT variability. However, whether…

Electrochemical reactions of uranyl(VI) complexes in aqueous solution, non-aqueous solvents, and ionic liquids

International Nuclear Information System (INIS)

Ikeda, Yasuhisa

2006-01-01

Author's recent experimental results on the chemistry of U(V) in aqueous solution, non-aqueous solvents, and ionic solvents by cyclic voltametry are described. The U(V) was produced by electrochemical reduction of uranyl U(VI) ions or complexes such as carbonates, DMF(N, N-dimethylformamide), DMSO(dimethylsulfoxide), acetylacetonato, and other organic polydental ligands. The produced U(V) complexes were studied by spectrophotometry using optical-transmission thin-layer electrode. The U(V) complexes in non-aqueous solvents were found to be rather stable, they undergo ligand-dissociation reaction but not disproportionation reaction. The structure and electronic spectra as well as IR spectra of the complexes were studied. The present method was further developed to study the behavior of U(V) complexes in ionic liquids as molten salts, e.g., alkaline metals chlorides. Thus, the present research contributes to understanding the chemistry of 5fl system. Application to such nuclear technology as spent fuel reprocessing is discussed. (S. Ohno)

Predictors of chronic ankle instability: Analysis of peroneal reaction time, dynamic balance and isokinetic strength.

Science.gov (United States)

Sierra-Guzmán, Rafael; Jiménez, Fernando; Abián-Vicén, Javier

2018-05-01

Previous studies have reported the factors contributing to chronic ankle instability, which could lead to more effective treatments. However, factors such as the reflex response and ankle muscle strength have not been taken into account in previous investigations. Fifty recreational athletes with chronic ankle instability and 55 healthy controls were recruited. Peroneal reaction time in response to sudden inversion, isokinetic evertor muscle strength and dynamic balance with the Star Excursion Balance Test and the Biodex Stability System were measured. The relationship between the Cumberland Ankle Instability Tool score and performance on each test was assessed and a backward multiple linear regression analysis was conducted. Participants with chronic ankle instability showed prolonged peroneal reaction time, poor performance in the Biodex Stability System and decreased reach distance in the Star Excursion Balance Test. No significant differences were found in eversion and inversion peak torque. Moderate correlations were found between the Cumberland Ankle Instability Tool score and the peroneal reaction time and performance on the Star Excursion Balance Test. Peroneus brevis reaction time and the posteromedial and lateral directions of the Star Excursion Balance Test accounted for 36% of the variance in the Cumberland Ankle Instability Tool. Dynamic balance deficits and delayed peroneal reaction time are present in participants with chronic ankle instability. Peroneus brevis reaction time and the posteromedial and lateral directions of the Star Excursion Balance Test were the main contributing factors to the Cumberland Ankle Instability Tool score. No clear strength impairments were reported in unstable ankles. Copyright © 2018 Elsevier Ltd. All rights reserved.

Topological and non-topological soliton solutions to some time

Indian Academy of Sciences (India)

Topological and non-topological soliton solutions to some time-fractional differential equations ... These equations have been widely applied in many branches of nonlinear ... Department of Engineering Sciences, Faculty of Technology and ...

Dynamic Beam Solutions for Real-Time Simulation and Control Development of Flexible Rockets

Science.gov (United States)

Su, Weihua; King, Cecilia K.; Clark, Scott R.; Griffin, Edwin D.; Suhey, Jeffrey D.; Wolf, Michael G.

2016-01-01

In this study, flexible rockets are structurally represented by linear beams. Both direct and indirect solutions of beam dynamic equations are sought to facilitate real-time simulation and control development for flexible rockets. The direct solution is completed by numerically integrate the beam structural dynamic equation using an explicit Newmark-based scheme, which allows for stable and fast transient solutions to the dynamics of flexile rockets. Furthermore, in the real-time operation, the bending strain of the beam is measured by fiber optical sensors (FOS) at intermittent locations along the span, while both angular velocity and translational acceleration are measured at a single point by the inertial measurement unit (IMU). Another study in this paper is to find the analytical and numerical solutions of the beam dynamics based on the limited measurement data to facilitate the real-time control development. Numerical studies demonstrate the accuracy of these real-time solutions to the beam dynamics. Such analytical and numerical solutions, when integrated with data processing and control algorithms and mechanisms, have the potential to increase launch availability by processing flight data into the flexible launch vehicle's control system.

Averaged multivalued solutions and time discretization for conservation laws

International Nuclear Information System (INIS)

Brenier, Y.

1985-01-01

It is noted that the correct shock solutions can be approximated by averaging in some sense the multivalued solution given by the method of characteristics for the nonlinear scalar conservation law (NSCL). A time discretization for the NSCL equation based on this principle is considered. An equivalent analytical formulation is shown to lead quite easily to a convergence result, and a third formulation is introduced which can be generalized for the systems of conservation laws. Various numerical schemes are constructed from the proposed time discretization. The first family of schemes is obtained by using a spatial grid and projecting the results of the time discretization. Many known schemes are then recognized (mainly schemes by Osher, Roe, and LeVeque). A second way to discretize leads to a particle scheme without space grid, which is very efficient (at least in the scalar case). Finally, a close relationship between the proposed method and the Boltzmann type schemes is established. 14 references

Characterizing multiple solutions to the time-energy canonical commutation relation via internal symmetries

International Nuclear Information System (INIS)

Caballar, Roland Cristopher F.; Ocampo, Leonard R.; Galapon, Eric A.

2010-01-01

Internal symmetries can be used to classify multiple solutions to the time-energy canonical commutation relation (TE-CCR). The dynamical behavior of solutions to the TE-CCR possessing particular internal symmetries involving time reversal differ significantly from solutions to the TE-CCR without those particular symmetries, implying a connection between the internal symmetries of a quantum system, its internal unitary dynamics, and the TE-CCR.

On one model problem for the reaction-diffusion-advection equation

Science.gov (United States)

Davydova, M. A.; Zakharova, S. A.; Levashova, N. T.

2017-09-01

The asymptotic behavior of the solution with boundary layers in the time-independent mathematical model of reaction-diffusion-advection arising when describing the distribution of greenhouse gases in the surface atmospheric layer is studied. On the basis of the asymptotic method of differential inequalities, the existence of a boundary-layer solution and its asymptotic Lyapunov stability as a steady-state solution of the corresponding parabolic problem is proven. One of the results of this work is the determination of the local domain of the attraction of a boundary-layer solution.

K X-rays and nuclear reaction times in the deep inelastic reactions U+U and U+Pb at 7.5 MeV/amu

International Nuclear Information System (INIS)

Stoller, C.

1985-01-01

The K-shell ionisation probability of the heavy reaction products emerging from binary deep inelastic collisions of U + U and U + Pb at 7.5 MeV/amu has been measured as a function of the total kinetic energy loss - Q. After subtraction of the ionisation probability due to internal conversion of γ-rays, a strongly Q-dependent Psub(K) is found, in agreement with theoretical predictions relating the change in ionisation probability to the nuclear sticking time. The deduced nuclear reaction times are in qualitative agreement with predictions from nuclear models of deep inelastic reactions. (orig.)

ANALYSIS OF A POSSIBLE REDUCTION IN ENERGY CONSUMPTION IN WATER ELECTROLYSIS REACTION

Directory of Open Access Journals (Sweden)

Aurel George POPESCU

2013-05-01

Full Text Available It was experimentally observed that the electrolysis reaction continues a short period of time - time torelax c - after the cell power supply is interrupted. This paper presents an analysis of transient phenomenaoccurring and pr opose technical solutions

Exact solution of a quantum forced time-dependent harmonic oscillator

Science.gov (United States)

Yeon, Kyu Hwang; George, Thomas F.; Um, Chung IN

1992-01-01

The Schrodinger equation is used to exactly evaluate the propagator, wave function, energy expectation values, uncertainty values, and coherent state for a harmonic oscillator with a time dependent frequency and an external driving time dependent force. These quantities represent the solution of the classical equation of motion for the time dependent harmonic oscillator.

Secular slowing auditory simple reaction time in Sweden (1959-1985

Directory of Open Access Journals (Sweden)

Guy Madison

2016-08-01

Full Text Available There are indications that simple reaction time might have slowed in Western countries, based on both cohort- and multi-study comparisons. A possible limitation of the latter method in particular is measurement error stemming from methods variance, which results from the fact that instruments and experimental conditions change over time and between studies. We therefore set out to measure the simple auditory reaction time (SRT of 7,081 individuals (2,997 males and 4,084 females born in Sweden 1959-1985 (subjects were aged between 27 and 54 years at time of measurement. Depending on cut-offs and adjustment for ageing related slowing on SRT, the data suggest that SRT has increased between 3 and 16 ms in the 27 birth years covered in the present sample. The slowing is unlikely to be explained by attrition, as evaluated by comparing the general intelligence × birth-year interactions and standard deviations for both male participants and dropouts, utilizing military conscript cognitive ability data. The present result is consistent with previous studies employing alternative methods, and may result from several synergistic factors, such as possible recent micro-evolutionary trends favouring lower g in Sweden and the effects of industrially produced neurotoxic substances on peripheral nerve conduction velocity.

Interference between postural control and spatial vs. non-spatial auditory reaction time tasks in older adults.

Science.gov (United States)

Fuhrman, Susan I; Redfern, Mark S; Jennings, J Richard; Furman, Joseph M

2015-01-01

This study investigated whether spatial aspects of an information processing task influence dual-task interference. Two groups (Older/Young) of healthy adults participated in dual-task experiments. Two auditory information processing tasks included a frequency discrimination choice reaction time task (non-spatial task) and a lateralization choice reaction time task (spatial task). Postural tasks included combinations of standing with eyes open or eyes closed on either a fixed floor or a sway-referenced floor. Reaction times and postural sway via center of pressure were recorded. Baseline measures of reaction time and sway were subtracted from the corresponding dual-task results to calculate reaction time task costs and postural task costs. Reaction time task cost increased with eye closure (p = 0.01), sway-referenced flooring (p vision x age interaction indicated that older subjects had a significant vision X task interaction whereas young subjects did not. However, when analyzed by age group, the young group showed minimal differences in interference for the spatial and non-spatial tasks with eyes open, but showed increased interference on the spatial relative to non-spatial task with eyes closed. On the contrary, older subjects demonstrated increased interference on the spatial relative to the non-spatial task with eyes open, but not with eyes closed. These findings suggest that visual-spatial interference may occur in older subjects when vision is used to maintain posture.

Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F- + CH3I reaction in aqueous solution.

Science.gov (United States)

Liu, Peng; Zhang, Jingxue; Wang, Dunyou

2017-06-07

A double-inversion mechanism of the F - + CH 3 I reaction was discovered in aqueous solution using combined multi-level quantum mechanics theories and molecular mechanics. The stationary points along the reaction path show very different structures to the ones in the gas phase due to the interactions between the solvent and solute, especially strong hydrogen bonds. An intermediate complex, a minimum on the potential of mean force, was found to serve as a connecting-link between the abstraction-induced inversion transition state and the Walden-inversion transition state. The potentials of mean force were calculated with both the DFT/MM and CCSD(T)/MM levels of theory. Our calculated free energy barrier of the abstraction-induced inversion is 69.5 kcal mol -1 at the CCSD(T)/MM level of theory, which agrees with the one at 72.9 kcal mol -1 calculated using the Born solvation model and gas-phase data; and our calculated free energy barrier of the Walden inversion is 24.2 kcal mol -1 , which agrees very well with the experimental value at 25.2 kcal mol -1 in aqueous solution. The calculations show that the aqueous solution makes significant contributions to the potentials of mean force and exerts a big impact on the molecular-level evolution along the reaction pathway.

Shedding Light on the Oxygen Reduction Reaction Mechanism in Ether-Based Electrolyte Solutions: A Study Using Operando UV-Vis Spectroscopy.

Science.gov (United States)

Hirshberg, Daniel; Sharon, Daniel; Afri, Michal; Lavi, Ronit; Frimer, Aryeh A; Metoki, Noa; Eliaz, Noam; Kwak, Won-Jin; Sun, Yang-Kook; Aurbach, Doron

2018-04-04

Using UV-vis spectroscopy in conjunction with various electrochemical techniques, we have developed a new effective operando methodology for investigating the oxygen reduction reactions (ORRs) and their mechanisms in nonaqueous solutions. We can follow the in situ formation and presence of superoxide moieties during ORR as a function of solvent, cations, anions, and additives in the solution. Thus, using operando UV-vis spectroscopy, we found evidence for the formation of superoxide radical anions during oxygen reduction in LiTFSI/diglyme electrolyte solutions. Nitro blue tetrazolium (NBT) was used to indicate the presence of superoxide moieties based on its unique spectral response. Indeed, the spectral response of NBT containing solutions undergoing ORR could provide a direct indication for the level of association of the Li cations with the electrolyte anions.

Preparation of YBa2Cu3O7-x superconducting solutions and films from alkoxide-based precursors using sol-gel method and investigation of their chemical reaction mechanisms

International Nuclear Information System (INIS)

Mutlu, Ibrahim Halil; Acun, Hediye; Celik, Erdal; Turkmen, Hasan

2007-01-01

In the development of coated superconductors sol-gel technique has been widely used as an effective processing method, especially in making long-length wires and tapes. However, one drawback associated with the deposition of YBa 2 Cu 3 O 7-x and Gd 2 O 3 buffer layer on Ni tape is the adhesion characteristic at interfaces YBCO-Gd 2 O 3 and Gd 2 O 3 -NiO and NiO-Ni substrate. In this paper, two strategies for adhesion enhancement of multilayered ceramic oxide coatings on Ni substrate were proposed: (1) formation of chemical bonds through surface condensation reactions, and development of ceramic networks through diffusion of alkoxide precursors. The current research has focused on the fabrication and adhesion of YBCO coatings on buffered Ni substrate using nine solutions prepared from Y, Ba and Cu alkoxides, solvent and chelating agent. Only two of YBCO solutions were successfully obtained while the rest of them were unsuccessful. Among these solutions we scrutinized chemical reaction mechanisms of a successful and an unsuccessful solution for comparison. How the chemical bonds and solubility were affected by the acids, base and solvents used in the solutions was demonstrated. It was shown that pH of the solution, homogeneity of the solution and gelation, steric affect of the chemicals in sol-gel solutions are significant issues to obtain high quality superconducting YBCO thin films. In addition, X-ray diffraction (XRD) was used to analyze phase structure of YBCO and compare results of chemical reactions obtained by a chemdraw programme. Scanning electron microscope (SEM) studies was carried out to examine microstructures of YBCO films produced from alkoxide precursors, solvent, chelating agent and modifying liquid chemical materials such as triethanolamine or ammonium hydroxide. It was found to be YBCO, Gd 2 O 3 , NiO and Ni phases in YBCO/Gd 2 O 3 /Ni sample from XRD analysis. That the solution prepared by using triethanolamine provided the best film quality and

Almost Periodic Solution for Memristive Neural Networks with Time-Varying Delays

Directory of Open Access Journals (Sweden)

Huaiqin Wu

2013-01-01

Full Text Available This paper is concerned with the dynamical stability analysis for almost periodic solution of memristive neural networks with time-varying delays. Under the framework of Filippov solutions, by applying the inequality analysis techniques, the existence and asymptotically almost periodic behavior of solutions are discussed. Based on the differential inclusions theory and Lyapunov functional approach, the stability issues of almost periodic solution are investigated, and a sufficient condition for the existence, uniqueness, and global exponential stability of the almost periodic solution is established. Moreover, as a special case, the condition which ensures the global exponential stability of a unique periodic solution is also presented for the considered memristive neural networks. Two examples are given to illustrate the validity of the theoretical results.

Finite difference time domain solution of electromagnetic scattering on the hypercube

International Nuclear Information System (INIS)

Calalo, R.H.; Lyons, J.R.; Imbriale, W.A.

1988-01-01

Electromagnetic fields interacting with a dielectric or conducting structure produce scattered electromagnetic fields. To model the fields produced by complicated, volumetric structures, the finite difference time domain (FDTD) method employs an iterative solution to Maxwell's time dependent curl equations. Implementations of the FDTD method intensively use memory and perform numerous calculations per time step iteration. The authors have implemented an FDTD code on the California Institute of Technology/Jet Propulsion Laboratory Mark III Hypercube. This code allows to solve problems requiring as many as 2,048,000 unit cells on a 32 node Hypercube. For smaller problems, the code produces solutions in a fraction of the time to solve the same problems on sequential computers

Fast Time and Space Parallel Algorithms for Solution of Parabolic Partial Differential Equations

Science.gov (United States)

Fijany, Amir

1993-01-01

In this paper, fast time- and Space -Parallel agorithms for solution of linear parabolic PDEs are developed. It is shown that the seemingly strictly serial iterations of the time-stepping procedure for solution of the problem can be completed decoupled.

An investigation of leg and trunk strength and reaction times of hard-style martial arts practitioners.

Science.gov (United States)

Donovan, Oliver O; Cheung, Jeanette; Catley, Maria; McGregor, Alison H; Strutton, Paul H

2006-01-01

The purpose of this study was to investigate trunk and knee strength in practitioners of hard-style martial arts. An additional objective was to examine reaction times in these participants by measuring simple reaction times (SRT), choice reaction times (CRT) and movement times (MT). Thirteen high-level martial artists and twelve sedentary participants were tested under isokinetic and isometric conditions on an isokinetic dynamometer. Response and movement times were also measured in response to simple and choice auditory cues. Results indicated that the martial arts group generated a greater body-weight adjusted peak torque with both legs at all speeds during isokinetic extension and flexion, and in isometric extension but not flexion. In isokinetic and isometric trunk flexion and extension, martial artists tended to have higher peak torques than controls, but they were not significantly different (p > 0.05). During the SRT and CRT tasks the martial artists were no quicker in lifting their hand off a button in response to the stimulus [reaction time (RT)] but were significantly faster in moving to press another button [movement time (MT)]. In conclusion, the results reveal that training in a martial art increases the strength of both the flexors and extensors of the leg. Furthermore, they have faster movement times to auditory stimuli. These results are consistent with the physical aspects of the martial arts. Key PointsMartial artists undertaking hard-style martial arts have greater strength in their knee flexor and extensor muscles as tested under isokinetic testing. Under isometric testing conditions they have stronger knee extensors only.The trunk musculature is generally higher under both conditions of testing in the martial artists, although not significantly.The total reaction times of the martial artists to an auditory stimulus were significantly faster than the control participants. When analysed further it was revealed that the decrease in reaction time

Development and testing of a compartmentalized reaction network model for redox zones in contaminated aquifers

Science.gov (United States)

Abrams , Robert H.; Loague, Keith; Kent, Douglas B.

1998-01-01

The work reported here is the first part of a larger effort focused on efficient numerical simulation of redox zone development in contaminated aquifers. The sequential use of various electron acceptors, which is governed by the energy yield of each reaction, gives rise to redox zones. The large difference in energy yields between the various redox reactions leads to systems of equations that are extremely ill-conditioned. These equations are very difficult to solve, especially in the context of coupled fluid flow, solute transport, and geochemical simulations. We have developed a general, rational method to solve such systems where we focus on the dominant reactions, compartmentalizing them in a manner that is analogous to the redox zones that are often observed in the field. The compartmentalized approach allows us to easily solve a complex geochemical system as a function of time and energy yield, laying the foundation for our ongoing work in which we couple the reaction network, for the development of redox zones, to a model of subsurface fluid flow and solute transport. Our method (1) solves the numerical system without evoking a redox parameter, (2) improves the numerical stability of redox systems by choosing which compartment and thus which reaction network to use based upon the concentration ratios of key constituents, (3) simulates the development of redox zones as a function of time without the use of inhibition factors or switching functions, and (4) can reduce the number of transport equations that need to be solved in space and time. We show through the use of various model performance evaluation statistics that the appropriate compartment choice under different geochemical conditions leads to numerical solutions without significant error. The compartmentalized approach described here facilitates the next phase of this effort where we couple the redox zone reaction network to models of fluid flow and solute transport.

Rheological and micro-Raman time-series characterization of enzyme sol–gel solution toward morphological control of electrospun fibers

International Nuclear Information System (INIS)

Oriero, Dennis A; Weakley, Andrew T; Aston, D Eric

2012-01-01

Rheological and micro-Raman time-series characterizations were used to investigate the chemical evolutionary changes of silica sol–gel mixtures for electrospinning fibers to immobilize an enzyme (tyrosinase). Results of dynamic rheological measurements agreed with the expected structural transitions associated with reacting sol–gel systems. The electrospinning sols exhibited shear-thinning behavior typical of a power law model. Ultrafine (200–300 nm diameter) fibers were produced at early and late times within the reaction window of approximately one hour from initial mixing of sol solutions with and without enzyme; diameter distributions of these fibers showed much smaller deviations than expected. The enzyme markedly increased magnitudes of both elastic and viscous moduli but had no significant impact on final fiber diameters, suggesting that the shear-thinning behavior of both sol–gel mixtures is dominant in the fiber elongation process. The time course and scale for the electrospinning batch fabrication show strong correlations between the magnitudes in rheological property changes over time and the chemical functional group evolution obtained from micro-Raman time-series analysis of the reacting sol–gel systems.

Rheological and micro-Raman time-series characterization of enzyme sol–gel solution toward morphological control of electrospun fibers

Science.gov (United States)

Oriero, Dennis A; Weakley, Andrew T; Aston, D Eric

2012-01-01

Rheological and micro-Raman time-series characterizations were used to investigate the chemical evolutionary changes of silica sol–gel mixtures for electrospinning fibers to immobilize an enzyme (tyrosinase). Results of dynamic rheological measurements agreed with the expected structural transitions associated with reacting sol–gel systems. The electrospinning sols exhibited shear-thinning behavior typical of a power law model. Ultrafine (200–300 nm diameter) fibers were produced at early and late times within the reaction window of approximately one hour from initial mixing of sol solutions with and without enzyme; diameter distributions of these fibers showed much smaller deviations than expected. The enzyme markedly increased magnitudes of both elastic and viscous moduli but had no significant impact on final fiber diameters, suggesting that the shear-thinning behavior of both sol–gel mixtures is dominant in the fiber elongation process. The time course and scale for the electrospinning batch fabrication show strong correlations between the magnitudes in rheological property changes over time and the chemical functional group evolution obtained from micro-Raman time-series analysis of the reacting sol–gel systems. PMID:27877486

Thin liquid films with time-dependent chemical reactions sheared by an ambient gas flow

Science.gov (United States)

Bender, Achim; Stephan, Peter; Gambaryan-Roisman, Tatiana

2017-08-01

Chemical reactions in thin liquid films are found in many industrial applications, e.g., in combustion chambers of internal combustion engines where a fuel film can develop on pistons or cylinder walls. The reactions within the film and the turbulent outer gas flow influence film stability and lead to film breakup, which in turn can lead to deposit formation. In this work we examine the evolution and stability of a thin liquid film in the presence of a first-order chemical reaction and under the influence of a turbulent gas flow. Long-wave theory with a double perturbation analysis is used to reduce the complexity of the problem and obtain an evolution equation for the film thickness. The chemical reaction is assumed to be slow compared to film evolution and the amount of reactant in the film is limited, which means that the reaction rate decreases with time as the reactant is consumed. A linear stability analysis is performed to identify the influence of reaction parameters, material properties, and environmental conditions on the film stability limits. Results indicate that exothermic reactions have a stabilizing effect whereas endothermic reactions destabilize the film and can lead to rupture. It is shown that an initially unstable film can become stable with time as the reaction rate decreases. The shearing of the film by the external gas flow leads to the appearance of traveling waves. The shear stress magnitude has a nonmonotonic influence on film stability.

Statistical formulation of gravitational radiation reaction

International Nuclear Information System (INIS)

Schutz, B.F.

1980-01-01

A new formulation of the radiation-reaction problem is proposed, which is simpler than alternatives which have been used before. The new approach is based on the initial-value problem, uses approximations which need be uniformly valid only in compact regions of space-time, and makes no time-asymmetric assumptions (no a priori introduction of retarded potentials or outgoing-wave asymptotic conditions). It defines radiation reaction to be the expected evolution of a source obtained by averaging over a statistical ensemble of initial conditions. The ensemble is chosen to reflect one's complete lack of information (in real systems) about the initial data for the radiation field. The approach is applied to the simple case of a weak-field, slow-motion source in general relativity, where it yields the usual expressions for radiation reaction when the gauge is chosen properly. There is a discussion of gauge freedom, and another of the necessity of taking into account reaction corrections to the particle-conservation equation. The analogy with the second law of thermodynamics is very close, and suggests that the electromagnetic and thermodynamic arrows of time are the same. Because the formulation is based on the usual initial-value problem, it has no spurious ''runaway'' solutions

Time Course of Detection of Human Male DNA from Stained Blood Sample on Various Surfaces by Loop Mediated Isothermal Amplification and Polymerase Chain Reaction

OpenAIRE

Panan Kanchanaphum

2018-01-01

This study explores determining the sex of humans from blood stains taken from different surfaces and compares the time course of detection with the conventional PCR, Conventional Loop Mediated Isothermal Amplification (LAMP), and LAMP-Lateral Flow Dipstick (LFD). For the DNA templates, 7 male and 7 female blood stained samples were extracted and added to LAMP and PCR reaction solution to amplify the SRY gene. The DNA samples were extracted from the following blood stained materials: cloth, w...

Chemical interesterification of soybean oil and fully hydrogenated soybean oil: Influence of the reaction time

International Nuclear Information System (INIS)

Ribeiro, Ana Paula Badan; Masuchi, Monise Helen; Grimaldi, Renato; Goncalves, Lireny Aparecida Guaraldo

2009-01-01

Chemical interesterification is an important alternative to produce zero trans fats. In practice, however, excessive reaction times are used to ensure complete randomization. This work evaluated the influence of the reaction time on the interesterification of soybean oil/fully hydrogenated soybean oil blend, carried out in the following conditions: 100 deg C, 500 rpm stirring speed, 0.4% (w/w) sodium methoxide catalyst. The triacylglycerol composition, solid fat content and melting point analysis showed that the reaction was very fast, reaching the equilibrium within 5 min. This result suggests the interesterification can be performed in substantially lower times, with reduction in process costs. (author)

Analysis of agility, reaction time and balance variables at badminton players aged 9-14 years

Directory of Open Access Journals (Sweden)

Seydi Ahmet Ağaoğlu

2017-12-01

Full Text Available Aim: The aim of this study was investigated agility, static and dynamic balance and reaction time variables of badminton players aged between 9-14 and relate with among variables. Material and Methods: In Samsun, 19 males (sport age, 3.42±1.64 years and 12 females (3.00±1.28 years active badminton players were voluntarily participated in who are in 9-14 ages range. Agility was measured by “T” test, CSMI-Tecnobody Pk-252 isokinetic balance system measuring instrument was used to test static balance and dynamic balance and Mozart Lafayette reaction measuring instrument was used to test visual and auditory reaction times of players. Spearman correlation analysis was applied so as to correlation analysis. The level of significance was taken as p<0.05. Results: For female athletes, a positive relation was determined between the agility and the perimeter (mm used (r=0.727; p<0.01 through the static balance measure double foot and eyes are open. For male athletes, a positive relation was determined between the visual reaction time and the perimeter (mm used (r=0.725; p<0.01 through the static balance measure dominant foot and eyes are open. For male and female athletes were not found any correlation between reaction time and dynamic balance. Conclusion: It was determined that audio (ears and visual (eyes reaction time was effective on balance. While badminton players are closed eyes, audio sensors are more influence on balance test through measure dominant foot.

Analytical Solution of Heat Conduction for Hollow Cylinders with Time-Dependent Boundary Condition and Time-Dependent Heat Transfer Coefficient

Directory of Open Access Journals (Sweden)

Te-Wen Tu

2015-01-01

Full Text Available An analytical solution for the heat transfer in hollow cylinders with time-dependent boundary condition and time-dependent heat transfer coefficient at different surfaces is developed for the first time. The methodology is an extension of the shifting function method. By dividing the Biot function into a constant plus a function and introducing two specially chosen shifting functions, the system is transformed into a partial differential equation with homogenous boundary conditions only. The transformed system is thus solved by series expansion theorem. Limiting cases of the solution are studied and numerical results are compared with those in the literature. The convergence rate of the present solution is fast and the analytical solution is simple and accurate. Also, the influence of physical parameters on the temperature distribution of a hollow cylinder along the radial direction is investigated.

TD-S-HF single determinantal reaction theory and the description of many-body processes, including fission

International Nuclear Information System (INIS)

Griffin, J.J.; Lichtner, P.C.; Dworzecka, M.; Kan, K.K.

1979-01-01

The restrictions implied for the time dependent many-body reaction theory by the (TDHF) single determinantal assumption are explored by constructive analysis. A restructured TD-S-HF reaction theory is modelled, not after the initial-value form of the Schroedinger reaction theory, but after the (fully equivalent) S-matrix form, under the conditions that only self-consistent TDHF solutions occur in the theory, every wave function obeys the fundamental statistical interpretation of quantum mechanics, and the theory reduces to the exact Schroedinger theory for exact solutions which are single determinantal. All of these conditions can be accomodated provided that the theory is interpreted on a time-averaged basis, i.e., physical constants of the Schroedinger theory which are time-dependent in the TDHF theory, are interpreted in TD-S-HF in terms of their time averaged values. The resulting reaction theory, although formulated heuristically, prescribes a well defined and unambiguous calculational program which, although somewhat more demanding technically than the conventional initial-value TDHF method, is nevertheless more consonant with first principles, structurally and mechanistically. For its physical predictions do not depend upon the precise location of the distant measuring apparatus, and are in no way influenced by the spurious cross channel correlations which arise whenever the description of many reaction channels is imposed upon one single-determinantal solution. For nuclear structure physics, the TDHF-eigenfunctions provide the first plausible description of exact eigenstates in the time-dependent framework; moreover, they are unencumbered by any restriction to small amplitudes. 14 references

Does listening to music with an audio ski helmet impair reaction time to peripheral stimuli?

Science.gov (United States)

Ruedl, G; Pocecco, E; Wolf, M; Schöpf, S; Burtscher, M; Kopp, M

2012-12-01

With the recent worldwide increase in ski helmet use, new market trends are developing, including audio helmets for listening to music while skiing or snowboarding. The aim of this study was to evaluate whether listening to music with an audio ski helmet impairs reaction time to peripheral stimuli. A within-subjects design study using the Compensatory-Tracking-Test was performed on 65 subjects (36 males and 29 females) who had a mean age of 23.3 ± 3.9 years. Using repeated measures analysis of variance, we found significant differences in reaction times between the 4 test conditions (p=0.039). The lowest mean reaction time (± SE) was measured for helmet use while listening to music (507.9 ± 13.2 ms), which was not different from helmet use alone (514.6 ± 12.5 ms) (p=0.528). However, compared to helmet use while listening to music, reaction time was significantly longer for helmet and ski goggles used together (535.8 ± 14.2 ms, p=0.005), with a similar trend for helmet and ski goggles used together while listening to music (526.9 ± 13.8 ms) (p=0.094). In conclusion, listening to music with an audio ski helmet did not increase mean reaction time to peripheral stimuli in a laboratory setting. © Georg Thieme Verlag KG Stuttgart · New York.

Time-resolved imaging of purely valence-electron dynamics during a chemical reaction

DEFF Research Database (Denmark)

Hockett, Paul; Bisgaard, Christer Z.; Clarkin, Owen J.

2011-01-01

Chemical reactions are manifestations of the dynamics of molecular valence electrons and their couplings to atomic motions. Emerging methods in attosecond science can probe purely electronic dynamics in atomic and molecular systems(1-6). By contrast, time-resolved structural-dynamics methods...... such as electron(7-10) or X-ray diffraction(11) and X-ray absorption(12) yield complementary information about the atomic motions. Time-resolved methods that are directly sensitive to both valence-electron dynamics and atomic motions include photoelectron spectroscopy(13-15) and high-harmonic generation(16......,17): in both cases, this sensitivity derives from the ionization-matrix element(18,19). Here we demonstrate a time-resolved molecular-frame photoelectron-angular-distribution (TRMFPAD) method for imaging the purely valence-electron dynamics during a chemical reaction. Specifically, the TRMFPADs measured during...

Reaction of long-lived radicals and vitamin C in γ-irradiated mammalian cells and their model system at 295 K. Tunneling reaction in biological system

International Nuclear Information System (INIS)

Matsumoto, Takuro; Miyazaki, Tetsuo; Kosugi, Yoshio; Kumada, Takayuki; Koyama, Sinji; Kodama, Seiji; Watanabe, Masami.

1996-01-01

When golden hamster embryo (GHE) cells or concentrated albumin solution (0.1 kg dm -3 ) that is a model system of cells is irradiated with γ-rays at 295 K, organic radicals produced can be observed by ESR. The organic radicals survive at both 295 K and 310 K for such a long time as 20 hr. The long-lived radicals in GHE cells and the albumin solution react with vitamin C by the rate constants of 0.007 dm 3 mol -1 s -1 and 0.014 dm 3 mol -1 s -1 , respectively. The long-lived radicals in human cells cause gene mutation, which is suppressed by addition of vitamin C. The isotope effect on the rate constant (k) for the reaction of the long-lived radicals and vitamin C has been studied in the albumin solution by use of protonated vitamin C and deuterated vitamin C. The isotope effect (k H /k D ) was more than 20-50 and was interpreted in terms of tunneling reaction. When GHE cells or the aqueous albumin solution (0.1 kg dm -3 ) is irradiated with γ-rays at 295 K, organic radicals produced survive for more than 24 hr at room temperature. Very recently we have found that vitamin C reacts with the long-lived organic radicals in the γ-irradiated albumin solution at high concentration of 0.1 kg dm -3 by the rate constant of 0.014 dm 3 mol -1 s -1 . Since most of reactions in biological systems including the reaction of vitamin C are a transfer of a hydrogen atom or a proton that has a large wave character, it is generally expected that the tunneling reaction may play an important role in biological systems at room temperature. The studies of isotope effects on reactions will give an information on the contribution of tunneling reaction. (J.P.N.)

The Influence of Different Performance Level of Fencers on Simple and Choice Reaction Time

Directory of Open Access Journals (Sweden)

Štefan Balkó

2016-09-01

Full Text Available DOI: http://dx.doi.org/10.5007/1980-0037.2016v18n4p391   In many sport disciplines reaction time plays a key role in the sport performance. It is good to point out for example ball games or fighting sports (fencing, karate etc.. The research is focused on detection of the differences in the simple and choice reaction time during visual stimulation among elite, sub-elite fencers and beginners. For the measurement a Fitrosword device and the SWORD software were used. An additional stimulus was added during measuring which should increase the overall number of stimuli, but shouldn’t force fencer to any reaction whatsoever. The results from presented study can be compared with Hicks law. The next focus of the study was to identify the difference in reaction time during two different movement tasks with different complexity movement requirements. The research was built up on a hypothesis that the results will differ among different performance groups of fencers. The difference however was overt among beginners and elite fencers (p = 0.0088, d = 0.5 in reaction time during different movement tasks (direct hit vs. lunge. The results of this research could be useful to trainers for training process organisation and increase the effectivity of muscle coordination during several movements in fencing.

Persistent junk solutions in time-domain modeling of extreme mass ratio binaries

International Nuclear Information System (INIS)

Field, Scott E.; Hesthaven, Jan S.; Lau, Stephen R.

2010-01-01

In the context of metric perturbation theory for nonspinning black holes, extreme mass ratio binary systems are described by distributionally forced master wave equations. Numerical solution of a master wave equation as an initial boundary value problem requires initial data. However, because the correct initial data for generic-orbit systems is unknown, specification of trivial initial data is a common choice, despite being inconsistent and resulting in a solution which is initially discontinuous in time. As is well known, this choice leads to a burst of junk radiation which eventually propagates off the computational domain. We observe another potential consequence of trivial initial data: development of a persistent spurious solution, here referred to as the Jost junk solution, which contaminates the physical solution for long times. This work studies the influence of both types of junk on metric perturbations, waveforms, and self-force measurements, and it demonstrates that smooth modified source terms mollify the Jost solution and reduce junk radiation. Our concluding section discusses the applicability of these observations to other numerical schemes and techniques used to solve distributionally forced master wave equations.

High Tc superconductors using solution techniques

International Nuclear Information System (INIS)

Barboux, P.; Valente, I.; Henry, M.; Morineau, R.; Tarascon, J.M.; Khan, S.; Shokoohi, F.; Bagley, B.G.

1989-01-01

The authors have investigated different solution techniques to synthesize the Cu-based superconductors in the thick film form. Thick films of YBa 2 Cu 3 O 7 have been produced using controlled precipitation techniques. Bi-based and Tl-based materials have been deposited by spraying of ionic solutions. The numerous difficulties encountered during each process are analyzed in order to propose new synthesis procedures such as a new method, based on the precipitation of hydroxides only, which is described as a prospective for lowering the synthesis temperature and shortening the reaction time

Effect of age, gender and body mass index on visual and auditory reaction times in Indian population.

Science.gov (United States)

Nikam, Lalita H; Gadkari, Jayshree V

2012-01-01

The effect of Age. Gender and Body Mass Index (BMI) on the Visual (VRT) and Auditory reaction time (ART) was studied in 30 males and 30 females in the age group of 18-20 years along with 30 males and 30 females in the age group of 65-75 years. Statistical analysis of the data by one-way ANOVA and post-hoc by Tukey-HSD test showed that BMI, VRT and ART were significantly higher in old than young individuals. Females had higher BMI and longer reaction times than males. There was significant positive correlation between BMI and reaction times (VRT and ART) in both males and females by Pearson correlation analysis. Older individuals should be more careful and vigilant about the injuries and falls due to increased reaction time. Longer reaction times and higher BMI in females could be attributed to fluid and salt retention due to female sex hormones affecting sensorimotor co-ordination.

Intraindividual Stepping Reaction Time Variability Predicts Falls in Older Adults With Mild Cognitive Impairment

OpenAIRE

Bunce, D; Haynes, BI; Lord, SR; Gschwind, YJ; Kochan, NA; Reppermund, S; Brodaty, H; Sachdev, PS; Delbaere, K

2017-01-01

Background: Reaction time measures have considerable potential to aid neuropsychological assessment in a variety of health care settings. One such measure, the intraindividual reaction time variability (IIV), is of particular interest as it is thought to reflect neurobiological disturbance. IIV is associated with a variety of age-related neurological disorders, as well as gait impairment and future falls in older adults. However, although persons diagnosed with Mild Cognitive Impairment (MCI)...

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

International Nuclear Information System (INIS)

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

1989-01-01

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

Non-perturbative analytical solutions of the space- and time-fractional Burgers equations

International Nuclear Information System (INIS)

Momani, Shaher

2006-01-01

Non-perturbative analytical solutions for the generalized Burgers equation with time- and space-fractional derivatives of order α and β, 0 < α, β ≤ 1, are derived using Adomian decomposition method. The fractional derivatives are considered in the Caputo sense. The solutions are given in the form of series with easily computable terms. Numerical solutions are calculated for the fractional Burgers equation to show the nature of solution as the fractional derivative parameter is changed

Preferential processing of tactile events under conditions of divided attention: Effects of divided attention on reaction time