WorldWideScience

Sample records for solution kinetics database

  1. Numeric databases on the kinetics of transient species in solution

    International Nuclear Information System (INIS)

    Helman, W.P.; Hug, G.L.; Carmichael, Ian; Ross, A.B.

    1988-01-01

    A description is given of data compilations on the kinetics of transient species in solution. In particular information is available for the reactions of radicals in aqueous solution and for excited states such as singlet molecular oxygen and those of metal complexes in solution. Methods for compilation and use of the information in computer-readable form are also described. Emphasis is placed on making the database available for online searching. (author)

  2. A kinetics database and scripts for PHREEQC

    Science.gov (United States)

    Hu, B.; Zhang, Y.; Teng, Y.; Zhu, C.

    2017-12-01

    Kinetics of geochemical reactions has been increasingly used in numerical models to simulate coupled flow, mass transport, and chemical reactions. However, the kinetic data are scattered in the literature. To assemble a kinetic dataset for a modeling project is an intimidating task for most. In order to facilitate the application of kinetics in geochemical modeling, we assembled kinetics parameters into a database for the geochemical simulation program, PHREEQC (version 3.0). Kinetics data were collected from the literature. Our database includes kinetic data for over 70 minerals. The rate equations are also programmed into scripts with the Basic language. Using the new kinetic database, we simulated reaction path during the albite dissolution process using various rate equations in the literature. The simulation results with three different rate equations gave difference reaction paths at different time scale. Another application involves a coupled reactive transport model simulating the advancement of an acid plume in an acid mine drainage site associated with Bear Creek Uranium tailings pond. Geochemical reactions including calcite, gypsum, and illite were simulated with PHREEQC using the new kinetic database. The simulation results successfully demonstrated the utility of new kinetic database.

  3. NLTE4 Plasma Population Kinetics Database

    Science.gov (United States)

    SRD 159 NLTE4 Plasma Population Kinetics Database (Web database for purchase)   This database contains benchmark results for simulation of plasma population kinetics and emission spectra. The data were contributed by the participants of the 4th Non-LTE Code Comparison Workshop who have unrestricted access to the database. The only limitation for other users is in hidden labeling of the output results. Guest users can proceed to the database entry page without entering userid and password.

  4. A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)

    International Nuclear Information System (INIS)

    Wakelam, V.; Pavone, B.; Hébrard, E.; Hersant, F.; Herbst, E.; Loison, J.-C.; Chandrasekaran, V.; Bergeat, A.; Smith, I. W. M.; Adams, N. G.; Bacchus-Montabonel, M.-C.; Béroff, K.; Bierbaum, V. M.; Chabot, M.; Dalgarno, A.; Van Dishoeck, E. F.; Faure, A.; Geppert, W. D.; Gerlich, D.; Galli, D.

    2012-01-01

    We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent possible. Submissions of measured and calculated rate coefficients are welcome, and will be studied by experts before inclusion into the database. Besides providing kinetic information for the interstellar medium, KIDA is planned to contain such data for planetary atmospheres and for circumstellar envelopes. Each year, a subset of the reactions in the database (kida.uva) will be provided as a network for the simulation of the chemistry of dense interstellar clouds with temperatures between 10 K and 300 K. We also provide a code, named Nahoon, to study the time-dependent gas-phase chemistry of zero-dimensional and one-dimensional interstellar sources.

  5. Bayesian Calibration of Thermodynamic Databases and the Role of Kinetics

    Science.gov (United States)

    Wolf, A. S.; Ghiorso, M. S.

    2017-12-01

    Self-consistent thermodynamic databases of geologically relevant materials (like Berman, 1988; Holland and Powell, 1998, Stixrude & Lithgow-Bertelloni 2011) are crucial for simulating geological processes as well as interpreting rock samples from the field. These databases form the backbone of our understanding of how fluids and rocks interact at extreme planetary conditions. Considerable work is involved in their construction from experimental phase reaction data, as they must self-consistently describe the free energy surfaces (including relative offsets) of potentially hundreds of interacting phases. Standard database calibration methods typically utilize either linear programming or least squares regression. While both produce a viable model, they suffer from strong limitations on the training data (which must be filtered by hand), along with general ignorance of many of the sources of experimental uncertainty. We develop a new method for calibrating high P-T thermodynamic databases for use in geologic applications. The model is designed to handle pure solid endmember and free fluid phases and can be extended to include mixed solid solutions and melt phases. This new calibration effort utilizes Bayesian techniques to obtain optimal parameter values together with a full family of statistically acceptable models, summarized by the posterior. Unlike previous efforts, the Bayesian Logistic Uncertain Reaction (BLUR) model directly accounts for both measurement uncertainties and disequilibrium effects, by employing a kinetic reaction model whose parameters are empirically determined from the experiments themselves. Thus, along with the equilibrium free energy surfaces, we also provide rough estimates of the activation energies, entropies, and volumes for each reaction. As a first application, we demonstrate this new method on the three-phase aluminosilicate system, illustrating how it can produce superior estimates of the phase boundaries by incorporating constraints

  6. Analytical Solution of Multicompartment Solute Kinetics for Hemodialysis

    Directory of Open Access Journals (Sweden)

    Przemysław Korohoda

    2013-01-01

    Full Text Available Objective. To provide an exact solution for variable-volume multicompartment kinetic models with linear volume change, and to apply this solution to a 4-compartment diffusion-adjusted regional blood flow model for both urea and creatinine kinetics in hemodialysis. Methods. A matrix-based approach applicable to linear models encompassing any number of compartments is presented. The procedure requires the inversion of a square matrix and the computation of its eigenvalues λ, assuming they are all distinct. This novel approach bypasses the evaluation of the definite integral to solve the inhomogeneous ordinary differential equation. Results. For urea two out of four eigenvalues describing the changes of concentrations in time are about 105 times larger than the other eigenvalues indicating that the 4-compartment model essentially reduces to the 2-compartment regional blood flow model. In case of creatinine, however, the distribution of eigenvalues is more balanced (a factor of 102 between the largest and the smallest eigenvalue indicating that all four compartments contribute to creatinine kinetics in hemodialysis. Interpretation. Apart from providing an exact analytic solution for practical applications such as the identification of relevant model and treatment parameters, the matrix-based approach reveals characteristic details on model symmetry and complexity for different solutes.

  7. Kinetic determination of As(III in solution

    Directory of Open Access Journals (Sweden)

    TODOR G. PECEV

    2003-10-01

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

  8. Uniqueness of solution to a stationary boundary kinetic problem

    International Nuclear Information System (INIS)

    Zhykharsky, A.V.

    1992-01-01

    The paper treats the question of uniqueness of solution to the boundary kinetic problem. This analysis is based on the accurate solutions to the stationary one-dimensional boundary kinetic problem for the limited plasma system. In the paper a simplified problem statement is used (no account is taken of the external magnetic field, a simplest form of boundary conditions is accepted) which, however, covers all features of the problem considered. Omitting the details of the conclusion we will write a set of Vlasov stationary kinetic equations for the cases of plane, cylindrical and spherical geometry of the problem. (author) 1 ref

  9. High-throughput ab-initio dilute solute diffusion database.

    Science.gov (United States)

    Wu, Henry; Mayeshiba, Tam; Morgan, Dane

    2016-07-19

    We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world.

  10. Kinetic Uptake Studies of Powdered Materials in Solution

    Directory of Open Access Journals (Sweden)

    Mohamed H. Mohamed

    2015-06-01

    Full Text Available Challenges exist for the study of time dependent sorption processes for heterogeneous systems, especially in the case of dispersed nanomaterials in solvents or solutions because they are not well suited to conventional batch kinetic experiments. In this study, a comparison of batch versus a one-pot setup in two variable configurations was evaluated for the study of uptake kinetics in heterogeneous (solid/solution systems: (i conventional batch method; (ii one-pot system with dispersed adsorbent in solution with a semi-permeable barrier (filter paper or dialysis tubing for in situ sampling; and (iii one-pot system with an adsorbent confined in a semi-permeable barrier (dialysis tubing or filter paper barrier with ex situ sampling. The sorbent systems evaluated herein include several cyclodextrin-based polyurethane materials with two types of phenolic dyes: p-nitrophenol and phenolphthalein. The one-pot kinetics method with in situ (Method ii or ex situ (Method iii sampling described herein offers significant advantages for the study of heterogeneous sorption kinetics of highly dispersed sorbent materials with particles sizes across a range of dimensions from the micron to nanometer scale. The method described herein will contribute positively to the development of advanced studies for heterogeneous sorption processes where an assessment of the relative uptake properties is required at different experimental conditions. The results of this study will be advantageous for the study of nanomaterials with significant benefits over batch kinetic studies for a wide range of heterogeneous sorption processes.

  11. Calcite growth kinetics: Modeling the effect of solution stoichiometry

    NARCIS (Netherlands)

    Wolthers, M.; Nehrke, G.; Gustafsson, J.P.; Van Cappellen, P.

    2012-01-01

    Until recently the influence of solution stoichiometry on calcite crystal growth kinetics has attracted little attention, despite the fact that in most aqueous environments calcite precipitates from non-stoichiometric solution. In order to account for the dependence of the calcite crystal growth

  12. Decomposition kinetics of aminoborane in aqueous solutions

    International Nuclear Information System (INIS)

    Shvets, I.B.; Erusalimchik, I.G.

    1984-01-01

    Kinetics of aminoborane hydrolysis has been studied using the method of polarization galvanostatical curves on a platinum electrode in buffer solutions at pH 3; 5; 7. The supposition that the reaction of aminoborane hydrolysis is the reaction of the first order by aminoborane is proved. The rate constant of aminoborane decomposition in the solution with pH 5 is equal to: K=2.5x10 -5 s -1 and with pH 3 it equals K=1.12x10 -4 s -1

  13. 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)

  14. Machine learning-based kinetic modeling: a robust and reproducible solution for quantitative analysis of dynamic PET data.

    Science.gov (United States)

    Pan, Leyun; Cheng, Caixia; Haberkorn, Uwe; Dimitrakopoulou-Strauss, Antonia

    2017-05-07

    A variety of compartment models are used for the quantitative analysis of dynamic positron emission tomography (PET) data. Traditionally, these models use an iterative fitting (IF) method to find the least squares between the measured and calculated values over time, which may encounter some problems such as the overfitting of model parameters and a lack of reproducibility, especially when handling noisy data or error data. In this paper, a machine learning (ML) based kinetic modeling method is introduced, which can fully utilize a historical reference database to build a moderate kinetic model directly dealing with noisy data but not trying to smooth the noise in the image. Also, due to the database, the presented method is capable of automatically adjusting the models using a multi-thread grid parameter searching technique. Furthermore, a candidate competition concept is proposed to combine the advantages of the ML and IF modeling methods, which could find a balance between fitting to historical data and to the unseen target curve. The machine learning based method provides a robust and reproducible solution that is user-independent for VOI-based and pixel-wise quantitative analysis of dynamic PET data.

  15. Machine learning-based kinetic modeling: a robust and reproducible solution for quantitative analysis of dynamic PET data

    Science.gov (United States)

    Pan, Leyun; Cheng, Caixia; Haberkorn, Uwe; Dimitrakopoulou-Strauss, Antonia

    2017-05-01

    A variety of compartment models are used for the quantitative analysis of dynamic positron emission tomography (PET) data. Traditionally, these models use an iterative fitting (IF) method to find the least squares between the measured and calculated values over time, which may encounter some problems such as the overfitting of model parameters and a lack of reproducibility, especially when handling noisy data or error data. In this paper, a machine learning (ML) based kinetic modeling method is introduced, which can fully utilize a historical reference database to build a moderate kinetic model directly dealing with noisy data but not trying to smooth the noise in the image. Also, due to the database, the presented method is capable of automatically adjusting the models using a multi-thread grid parameter searching technique. Furthermore, a candidate competition concept is proposed to combine the advantages of the ML and IF modeling methods, which could find a balance between fitting to historical data and to the unseen target curve. The machine learning based method provides a robust and reproducible solution that is user-independent for VOI-based and pixel-wise quantitative analysis of dynamic PET data.

  16. KINETICS OF THE HYDROXYPROPYLATION OF POTATO STARCH IN AQUEOUS-SOLUTION

    NARCIS (Netherlands)

    LAMMERS, G; STAMHUIS, EJ; BEENACKERS, AACM

    Kinetic results are presented for the hydroxypropylation of Potato starch with methyloxirane in aqueous solution. Reaction temperatures were varied from 303 to 362 K. Sodium hydroxide was used as a catalyst. The overall conversion rate of methyloxirane in alkaline starch solution is determined by

  17. The soliton solution of BBGKY quantum kinetic equations chain for different type particles system

    International Nuclear Information System (INIS)

    Rasulova, M.Yu.; Avazov, U.; Hassan, T.

    2006-12-01

    In the present paper on the basis of BBGKY chain of quantum kinetic equations the chain of equations for correlation matrices is derived, describing the evolution of a system of different types particles, which interact by pair potential. The series, which is the solution of this chain of equations for correlation matrices, is suggested. Using this series the solution of the last chain of equations is reduced to a solution of a set of homogeneous and nonhomogeneous von-Neumann's kinetic equations (analogue of Vlasov equations for quantum case). The first and second equations of this set of equations coincide with the first and second kinetic equations of the set, which is used in plasma physics. For an potential in the form of Dirac delta function, the solution of von-Neumann equation is defined through soliton solution of nonlinear Schrodinger equations. Based on von-Neumann equation one can define all terms of series, which is a solution of a chain of equations for correlation matrices. On the basis of these correlation matrices for a system of different types of particles we can define exact solution of BBGKY chain of quantum kinetic equations

  18. Kinetics of diuron and amitrole adsorption from aqueous solution on activated carbons.

    Science.gov (United States)

    Fontecha-Cámara, M A; López-Ramón, M V; Pastrana-Martínez, L M; Moreno-Castilla, C

    2008-08-15

    A study was conducted on the adsorption kinetics of diuron and amitrole from aqueous solutions on activated carbons of different particle sizes and on an activated carbon fiber. Different kinetic models were applied to the experimental results obtained. A pseudo-second-order rate equation fitted the adsorption kinetics data better than a pseudo-first-order rate equation. Amitrole showed faster adsorption kinetics compared with diuron because of the smaller size of the former herbicide, despite its lower driving force for adsorption. Both reaction rate constants increased when the particle size decreased. The activated carbon fiber and the activated carbon of smallest particle size (0.03 mm) showed similar adsorption kinetics. The intraparticle diffusion rate constant increased with higher initial concentration of herbicides in solution and with lower particle size of the adsorbent. This is because the rise in initial concentration increased the amount adsorbed at equilibrium, and the reduction in particle size increased the number of collisions between adsorbate and adsorbent particles. Demineralization of the activated carbon with particle size of 0.5mm had practically no effect on the adsorption kinetics.

  19. A database for extract solutions in general relativity

    International Nuclear Information System (INIS)

    Horvath, I.; Horvath, Zs.; Lukacs, B.

    1993-07-01

    The field of equations of General Relativity are coupled second order partial differential equations. Therefore no general method is known to generate solutions for prescribed initial and boundary conditions. In addition, the meaning of the particular coordinates cannot be known until the metric is not found. Therefore the result must permit arbitrary coordinate transformations, i.e. most kinds of approximating methods are improper. So exact solutions are necessary and each one is an individual product. For storage, retrieval and comparison database handling techniques are needed. A database of 1359 articles is shown (cross-referred at least once) published in 156 more important journals. It can be handled by dBase III plus on IBM PC's. (author) 5 refs.; 5 tabs

  20. Kinetics of Surfactant Desorption at an Air–Solution Interface

    KAUST Repository

    Morgan, C. E.; Breward, C. J. W.; Griffiths, I. M.; Howell, P. D.; Penfold, J.; Thomas, R. K.; Tucker, I.; Petkov, J. T.; Webster, J. R. P.

    2012-01-01

    The kinetics of re-equilibration of the anionic surfactant sodium dodecylbenzene sulfonate at the air-solution interface have been studied using neutron reflectivity. The experimental arrangement incorporates a novel flow cell in which the subphase

  1. 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

  2. Reshaping Smart Businesses with Cloud Database Solutions

    Directory of Open Access Journals (Sweden)

    Bogdan NEDELCU

    2015-03-01

    Full Text Available The aim of this article is to show the importance of Big Data and its growing influence on companies. We can also see how much are the companies willing to invest in big data and how much are they currently gaining from their big data. In this big data era, there is a fiercely competition between the companies and the technologies they use when building their strategies. There are almost no boundaries when it comes to the possibilities and facilities some databases can offer. However, the most challenging part lays in the development of efficient solutions - where and when to take the right decision, which cloud service is the most accurate being given a certain scenario, what database is suitable for the business taking in consideration the data types. These are just a few aspects which will be dealt with in the following chapters as well as exemplifications of the most accurate cloud services (e.g. NoSQL databases used by business leaders nowadays.

  3. Dissolution kinetics of lead telluride in alkali solutions of hydrogen peroxide

    International Nuclear Information System (INIS)

    Danilova, M.G.; Sveshnikova, L.L.; Stavitskaya, T.A.; Repinskij, S.M.

    1991-01-01

    Dissolution kinetics of lead telluride in alkali solutions of hydrogen peroxide was investigated. Dependences of change of PbTe dissolution rate on concentration of hydrogen peroxide and alkali in the solution were obtained. It is shown that dissolution rate of lead telluride is affected by dissolution rate of lead oxide, representing the product of ReTe dissolution. The obtained regularities can be explained by change of solution structure with increase of KOH concentration and by the state of hydrogen peroxide in the solution

  4. Analytical solution of point kinetic equations for sub-critical systems

    International Nuclear Information System (INIS)

    Henrice Junior, Edson; Goncalves, Alessandro C.

    2013-01-01

    This article presents an analytical solution for the set of point kinetic equations for sub-critical reactors. This solution stems from the ordinary, non-homogeneous differential equation that rules the neutron density and that presents the incomplete Gamma function in its functional form. The method used proved advantageous and allowed practical applications such as the linear insertion of reactivity, considering an external constant source or with both varying linearly. (author)

  5. Solution of the reactor point kinetics equations by MATLAB computing

    Directory of Open Access Journals (Sweden)

    Singh Sudhansu S.

    2015-01-01

    Full Text Available The numerical solution of the point kinetics equations in the presence of Newtonian temperature feedback has been a challenging issue for analyzing the reactor transients. Reactor point kinetics equations are a system of stiff ordinary differential equations which need special numerical treatments. Although a plethora of numerical intricacies have been introduced to solve the point kinetics equations over the years, some of the simple and straightforward methods still work very efficiently with extraordinary accuracy. As an example, it has been shown recently that the fundamental backward Euler finite difference algorithm with its simplicity has proven to be one of the most effective legacy methods. Complementing the back-ward Euler finite difference scheme, the present work demonstrates the application of ordinary differential equation suite available in the MATLAB software package to solve the stiff reactor point kinetics equations with Newtonian temperature feedback effects very effectively by analyzing various classic benchmark cases. Fair accuracy of the results implies the efficient application of MATLAB ordinary differential equation suite for solving the reactor point kinetics equations as an alternate method for future applications.

  6. Databases in Cloud - Solutions for Developing Renewable Energy Informatics Systems

    Directory of Open Access Journals (Sweden)

    Adela BARA

    2017-08-01

    Full Text Available The paper presents the data model of a decision support prototype developed for generation monitoring, forecasting and advanced analysis in the renewable energy filed. The solutions considered for developing this system include databases in cloud, XML integration, spatial data representation and multidimensional modeling. This material shows the advantages of Cloud databases and spatial data representation and their implementation in Oracle Database 12 c. Also, it contains a data integration part and a multidimensional analysis. The presentation of output data is made using dashboards.

  7. OSMOTIC DEHYDRATION KINETICS OF GUAVAS IN MALTOSE SOLUTIONS WITH CALCIUM SALT*

    Directory of Open Access Journals (Sweden)

    S. DI S. MASTRANTONIO

    2009-03-01

    Full Text Available

    The osmotic dehydration kinetics of guavas in maltose solutions at 40 and 60ºBrix, with addition of 0, 0.6 and 1.2% of calcium lactate was studied in this paper and the final product quality was evaluated. The experiments were carried out up to 60 hours and samples were taken for analysis at different times to evaluate guavas weight reduction, water loss and sugar gain and to characterize the product according to its texture and color. After 24 hours of process the mass transfer of water and sugar between the osmotic solution and the fruit was negligible, showing that process equilibrium was reached. The increase of sugar concentration in the osmotic solution showed strong influence on the dehydration process, increasing the water loss and reducing sugar gain. The presence of calcium ions in the osmotic solution also influenced the kinetics of mass transfer and showed a strong influence on fruit texture. Higher values of stress and strain at failure were obtained when calcium lactate was employed. The effect of the different osmotic treatments on the color parameters was also investigated and significant changes were observed in the values of chroma C* and hue H* due to sugar concentration and calcium addition.

    KEYWORDS: Osmotic dehydration; kinetics; guava; maltose; calcium lactate.

  8. Kinetic characteristics of crystallization from model solutions of the oral cavity

    Science.gov (United States)

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

    2015-11-01

    The kinetic regularities of crystallization from model solutions of the oral cavity are investigated and the growth order and constants are determined for two systems: saliva and dental plaque fluid (DPF). It is found that the stage in which the number of particles increases occurs in the range of mixed kinetics and their growth occurs in the diffusion range. The enhancing effect of additives HCO- 3 > C6H12O6 > F- and the retarding effect of Mg2+ are demonstrated. The HCO- 3 and Mg2+ additives, taken in high concentrations, affect the corresponding rate constants. It is revealed the crystallization in DPF is favorable for the growth of small crystallites, while the model solution of saliva is, vice versa, favorable for the growth of larger crystals.

  9. The kinetics of anodic dissolution of rhenium in aqueous electrolyte solutions

    International Nuclear Information System (INIS)

    Atanasyants, A.G.; Kornienko, V.A.

    1986-01-01

    The kinetics of anodic rhenium dissolution was investigated by means of potentiodynamic and potentiostatic polarization curves recorded at temperature from 293 to 333 K in different media (NaOH, KOH, NaCl, NaBr, HCl, H 2 SO 4 ) using the rotating disc technique. It is shown that the kinetics of anodic rhenium dissolution and effective activation energy depend not only on the composition and pH value of the solutions but also on the structure of the dissolving rhenium surface. The investigation of the anodic behaviour of the rhenium monocrystal revealed the existence of anisotropy of the monocrystal electrochemical properties. The experimental results point to an important role of adsorption processes in anodic rhenium dissolution. Rhenium dissolution proceeds with formation of intermediate surface adsorption complexes between the metal and the components of the solution

  10. An Explicit Finite Difference scheme for numerical solution of fractional neutron point kinetic equation

    International Nuclear Information System (INIS)

    Saha Ray, S.; Patra, A.

    2012-01-01

    Highlights: ► In this paper fractional neutron point kinetic equation has been analyzed. ► The numerical solution for fractional neutron point kinetic equation is obtained. ► Explicit Finite Difference Method has been applied. ► Supercritical reactivity, critical reactivity and subcritical reactivity analyzed. ► Comparison between fractional and classical neutron density is presented. - Abstract: In the present article, a numerical procedure to efficiently calculate the solution for fractional point kinetics equation in nuclear reactor dynamics is investigated. The Explicit Finite Difference Method is applied to solve the fractional neutron point kinetic equation with the Grunwald–Letnikov (GL) definition (). Fractional Neutron Point Kinetic Model has been analyzed for the dynamic behavior of the neutron motion in which the relaxation time associated with a variation in the neutron flux involves a fractional order acting as exponent of the relaxation time, to obtain the best operation of a nuclear reactor dynamics. Results for neutron dynamic behavior for subcritical reactivity, supercritical reactivity and critical reactivity and also for different values of fractional order have been presented and compared with the classical neutron point kinetic (NPK) equation as well as the results obtained by the learned researchers .

  11. Kinetics of boron ions sorption from solution by inorganic anion exchanger of MNH type

    International Nuclear Information System (INIS)

    Leont'eva, G.V.

    1990-01-01

    By the method of restricted volume in case of boron excess in solution kinetics of boron sorption by inorganic anion-exchanger of the composition (Mg 0.55 Ni 0.45 )(OH) 2 has been studied. The sorption was carried out from solution containing Na + , K + , Ca 2+ , Mg 2+ , Cl - , SO 4 2- , CO 3 2- , HCO 3 at 283, 293, 303 and 313 K and pH 8.1, while the density of solution was 1225 kg/m 3 . The sorption mechanism was considered. It is shown that heterogeneity of the character of kinetic curves is caused by the change in the mechanism of limiting stages of the sorption

  12. An analytical solution of the one-dimensional neutron diffusion kinetic equation in cartesian geometry

    International Nuclear Information System (INIS)

    Ceolin, Celina; Vilhena, Marco T.; Petersen, Claudio Z.

    2009-01-01

    In this work we report an analytical solution for the monoenergetic neutron diffusion kinetic equation in cartesian geometry. Bearing in mind that the equation for the delayed neutron precursor concentration is a first order linear differential equation in the time variable, to make possible the application of the GITT approach to the kinetic equation, we introduce a fictitious diffusion term multiplied by a positive small value ε. By this procedure, we are able to solve this set of equations. Indeed, applying the GITT technique to the modified diffusion kinetic equation, we come out with a matrix differential equation which has a well known analytical solution when ε goes to zero. We report numerical simulations as well study of numerical convergence of the results attained. (author)

  13. Homotopy analysis solutions of point kinetics equations with one delayed precursor group

    International Nuclear Information System (INIS)

    Zhu Qian; Luo Lei; Chen Zhiyun; Li Haofeng

    2010-01-01

    Homotopy analysis method is proposed to obtain series solutions of nonlinear differential equations. Homotopy analysis method was applied for the point kinetics equations with one delayed precursor group. Analytic solutions were obtained using homotopy analysis method, and the algorithm was analysed. The results show that the algorithm computation time and precision agree with the engineering requirements. (authors)

  14. Kinetics and mechanism of nitrobenzene hydrogenation to phenylhydroxylamine in rhenium thiocomplexes solutions

    International Nuclear Information System (INIS)

    Korenyako, G.I.; Belousov, V.M.

    1985-01-01

    A study was made on kinetics of nitrobenzene hydrogenation to phenylhydroxylamine in dimethylformamide solutions of rhenium thiocomplexes. The mechanism of hydrogenation was suggested. Formation of hydride catalyst complex represents the first stage of the process. Kinetic equation derived on the basis of suggested mechanism corresponds satisfactorily with experimental results. Thermodynamic parameters of separate process stages calculated on the basis of equilibrium constant values testify as well to the benefit of suggested mechanism

  15. An analytical solution for the two-group kinetic neutron diffusion equation in cylindrical geometry

    International Nuclear Information System (INIS)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio; Bodmann, Bardo Ernst

    2011-01-01

    Recently the two-group Kinetic Neutron Diffusion Equation with six groups of delay neutron precursor in a rectangle was solved by the Laplace Transform Technique. In this work, we report on an analytical solution for this sort of problem but in cylindrical geometry, assuming a homogeneous and infinite height cylinder. The solution is obtained applying the Hankel Transform to the Kinetic Diffusion equation and solving the transformed problem by the same procedure used in the rectangle. We also present numerical simulations and comparisons against results available in literature. (author)

  16. Zebrafish Database: Customizable, Free, and Open-Source Solution for Facility Management.

    Science.gov (United States)

    Yakulov, Toma Antonov; Walz, Gerd

    2015-12-01

    Zebrafish Database is a web-based customizable database solution, which can be easily adapted to serve both single laboratories and facilities housing thousands of zebrafish lines. The database allows the users to keep track of details regarding the various genomic features, zebrafish lines, zebrafish batches, and their respective locations. Advanced search and reporting options are available. Unique features are the ability to upload files and images that are associated with the respective records and an integrated calendar component that supports multiple calendars and categories. Built on the basis of the Joomla content management system, the Zebrafish Database is easily extendable without the need for advanced programming skills.

  17. Subdiffusion kinetics of nanoprecipitate growth and destruction in solid solutions

    Science.gov (United States)

    Sibatov, R. T.; Svetukhin, V. V.

    2015-06-01

    Based on fractional differential generalizations of the Ham and Aaron-Kotler precipitation models, we study the kinetics of subdiffusion-limited growth and dissolution of new-phase precipitates. We obtain the time dependence of the number of impurities and dimensions of new-phase precipitates. The solutions agree with the Monte Carlo simulation results.

  18. Review of Kaganove's solution for the reactor point kinetics equations

    International Nuclear Information System (INIS)

    Couto, R.T.; Santo, A.C.F. de.

    1993-09-01

    A review of Kaganove's method for the reactor point kinetics equations solution is performed. This was method chosen to calculate the power in ATR, a computer program for the analysis of reactivity transients. The reasons for this choice and the adaptation of the method to the purposes of ATR are presented. (author)

  19. Ionic solubility and solutal advection governed augmented evaporation kinetics of salt solution pendant droplets

    Science.gov (United States)

    Jaiswal, Vivek; Harikrishnan, A. R.; Khurana, Gargi; Dhar, Purbarun

    2018-01-01

    The presence of dispersed inclusions is known to modify the interfacial characteristics in liquids by adsorption-desorption of the ions at interfaces. The present article reports the influencing role of dissolved ions in a polar fluid on its evaporation dynamics. The evaporation dynamics of pendant droplets of aqueous solutions of variant simple salts and concentrations have been experimentally studied. The presence of salts is observed to enhance the evaporation rate (obeying the classical D2 law), and the enhancement has been found to hold a direct proportionality to the concentration of the dissolved salt. Furthermore, it is observed that the degree of enhancement in the evaporation rate is also directly proportional to the solubility of the salt in question. The phenomenon is explained based on the chemical kinetics and thermodynamics of hydration of the ionic species in the polar fluid. The classical evaporation rate constant formulation is found to be inadequate in modeling the enhanced species transport. Additional probing via particle image velocimetry reveals augmented internal circulation within the evaporating salt based drops compared to pure water. Mapping the dynamic surface tension reveals that a salt concentration gradient is generated between the bulk and periphery of the droplet and it could be responsible for the internal advection cells visualized. A thermo-solutal Marangoni and Rayleigh convection based mathematical formulation has been put forward, and it is shown that the enhanced solute-thermal convection could play a major role in enhanced evaporation. The internal circulation mapped from experiments is found to be in good quantitative agreement with the model predictions. Scaling analysis further reveals that the stability of the solutal Marangoni convection surpasses the thermal counterpart with higher salt concentration and solubility. The present article sheds insight into the possible domineering role of conjugate thermohydraulic and

  20. Fruit waste adsorbent for ammonia nitrogen removal from synthetic solution: Isotherms and kinetics

    Science.gov (United States)

    Zahrim, AY; Lija, Y.; Ricky, L. N. S.; Azreen, I.

    2016-06-01

    In this study, four types of watermelon rind (WR) adsorbents; fresh WR, modified WR with sodium hydroxide (NaOH), potassium hydroxide (KOH) and sulphuric acid (H2SO4) were used as a potential low-cost adsorbent to remove NH3-N from solution. The adsorption data were fitted with the adsorption isotherm and kinetic models to predict the mechanisms and kinetic characteristics of the adsorption process. The equilibrium data agreed well with Langmuir isotherm model with highest correlation (R2=1.00). As for kinetic modelling, the adsorption process follows pseudo-second order for all four types of adsorbents which has R2 value of 1.0 and calculated adsorption capacity, Qe of 1.2148mg/g. The calculated Qe for pseudo-second order has the smallest difference with the experimental Qe and thus suggest that this adsorption process is mainly governed by chemical process involving cations sharing or exchange between WR adsorbent and NH3-N in the solution.

  1. A radiochemical study of gold electrodeposition kinetics in alkaline cyanide solutions

    International Nuclear Information System (INIS)

    Poshkus, D.; Agafonovas, G.; Zhebrauskas, A.

    1995-01-01

    Kinetics of gold electrodeposition from alkaline cyanide solutions was investigated by the use of labelled gold 195 atoms. The absorption of cyanide containing species from alkaline cyanide and dicyanoaurate solutions on a gold electrode by the use of labelled carbon atoms was investigated. Polarization curves of anodic dissolution and cathodic deposition of gold in alkaline cyanide solutions were obtained. The values of standard potential, exchange current density, transfer coefficient and standard polarization rate were determined from polarization curves. The errors in current density caused by the nuclear disintegration statistics were evaluated. 28 refs., 1 tab., 4 figs

  2. Investigation of cadmium(2) electrolytic reduction kinetics from α-aminoacetic solutions

    International Nuclear Information System (INIS)

    Nikitenko, V.N.; Litovchenko, K.I.; Kublanovskij, V.S.

    1980-01-01

    Kinetics and reduction mechanism of cadmium(2) reduction from α-amino acetic solutions is studied. It is shown that glycine and hydrogen ions take part directly in the electrode reaction of cadmium (2) reduction from α-amino acetic solutions. It is established that complex ion of the composition CdCl + is electroactive forM of the substance, which takes part in the transfer reaction. The rate of electrode process is limited with reduced ion supply to the electrode surface

  3. Kinetic equation solution by inverse kinetic method

    International Nuclear Information System (INIS)

    Salas, G.

    1983-01-01

    We propose a computer program (CAMU) which permits to solve the inverse kinetic equation. The CAMU code is written in HPL language for a HP 982 A microcomputer with a peripheral interface HP 9876 A ''thermal graphic printer''. The CAMU code solves the inverse kinetic equation by taking as data entry the output of the ionization chambers and integrating the equation with the help of the Simpson method. With this program we calculate the evolution of the reactivity in time for a given disturbance

  4. Comparative analysis of solution methods of the punctual kinetic equations

    International Nuclear Information System (INIS)

    Hernandez S, A.

    2003-01-01

    The following one written it presents a comparative analysis among different analytical solutions for the punctual kinetics equation, which present two variables of interest: a) the temporary behavior of the neutronic population, and b) The temporary behavior of the different groups of precursors of delayed neutrons. The first solution is based on a method that solves the transfer function of the differential equation for the neutronic population, in which intends to obtain the different poles that give the stability of this transfer function. In this section it is demonstrated that the temporary variation of the reactivity of the system can be managed as it is required, since the integration time for this method doesn't affect the result. However, the second solution is based on an iterative method like that of Runge-Kutta or the Euler method where the algorithm was only used to solve first order differential equations giving this way solution to each differential equation that conforms the equations of punctual kinetics. In this section it is demonstrated that only it can obtain a correct temporary behavior of the neutronic population when it is integrated on an interval of very short time, forcing to the temporary variation of the reactivity to change very quick way without one has some control about the time. In both methods the same change is used so much in the reactivity of the system like in the integration times, giving validity to the results graph the one the temporary behavior of the neutronic population vs. time. (Author)

  5. Equilibrium and Kinetic Sorption of Some Heavy Metals from Aqueous Waste Solutions Using p (AAc-HEMA)

    International Nuclear Information System (INIS)

    El-Sayed, A.H.; Khalil, F.H.; Elnesr, E.; Mansour, T.; El-Gammal, B.; El -Sabbah, M.M.B.

    2013-01-01

    Removal of heavy metals from aqueous waste solution using poly acrylic acid / 2-hydroxy ethyle methacrylate ( p-AAc/ HEMA) was investigated. Experiments were carried out as function of contact time, initial concentration, ph, particle size and temperature. Adsorption data were modeled using the pseudo-first-order, pseudo-second-order and intra-particle diffusion kinetics equations. It was shown that pseudo-second-order kinetic equation could best describe the adsorption kinetics. The results indicated that poly acrylic acid / 2-hydroxy ethyle methacrylate (p-AAc/ HEMA) is suitable as adsorbent material for adsorption of Sr 2+ , Co 2+ , Cd 2+ , Zn 2+ , Nd 3+ and Eu 3+ radio active nuclei from aqueous solutions.

  6. KID - an algorithm for fast and efficient text mining used to automatically generate a database containing kinetic information of enzymes

    Directory of Open Access Journals (Sweden)

    Schomburg Dietmar

    2010-07-01

    Full Text Available Abstract Background The amount of available biological information is rapidly increasing and the focus of biological research has moved from single components to networks and even larger projects aiming at the analysis, modelling and simulation of biological networks as well as large scale comparison of cellular properties. It is therefore essential that biological knowledge is easily accessible. However, most information is contained in the written literature in an unstructured way, so that methods for the systematic extraction of knowledge directly from the primary literature have to be deployed. Description Here we present a text mining algorithm for the extraction of kinetic information such as KM, Ki, kcat etc. as well as associated information such as enzyme names, EC numbers, ligands, organisms, localisations, pH and temperatures. Using this rule- and dictionary-based approach, it was possible to extract 514,394 kinetic parameters of 13 categories (KM, Ki, kcat, kcat/KM, Vmax, IC50, S0.5, Kd, Ka, t1/2, pI, nH, specific activity, Vmax/KM from about 17 million PubMed abstracts and combine them with other data in the abstract. A manual verification of approx. 1,000 randomly chosen results yielded a recall between 51% and 84% and a precision ranging from 55% to 96%, depending of the category searched. The results were stored in a database and are available as "KID the KInetic Database" via the internet. Conclusions The presented algorithm delivers a considerable amount of information and therefore may aid to accelerate the research and the automated analysis required for today's systems biology approaches. The database obtained by analysing PubMed abstracts may be a valuable help in the field of chemical and biological kinetics. It is completely based upon text mining and therefore complements manually curated databases. The database is available at http://kid.tu-bs.de. The source code of the algorithm is provided under the GNU General Public

  7. Development of AGNES, a kinetics code for fissile solutions, 1

    International Nuclear Information System (INIS)

    Nakajima, Ken; Ohnishi, Nobuaki

    1986-01-01

    A kinetics code for fissile solutions, AGNES (Accidentally Generated Nuclear Excursion Simulation code), has been developed. This code calculates the radiolytic gas void effect as a reactivity feedback. Physical and calculative models of the radiolytic gas void are summarized and the usage of AGNES is described. In addition, some benchmark calculations were performed and results of calculations show good agreement with those of experiments. (author)

  8. Numerical benchmarking of SPEEDUP trademark against point kinetics solutions

    International Nuclear Information System (INIS)

    Gregory, M.V.

    1993-02-01

    SPEEDUP trademark is a state-of-the-art, dynamic, chemical process modeling package offered by Aspen Technology. In anticipation of new customers' needs for new analytical tools to support the site's waste management activities, SRTC has secured a multiple-user license to SPEEDUP trademark. In order to verify both the installation and mathematical correctness of the algorithms in SPEEDUP trademark, we have performed several numerical benchmarking calculations. These calculations are the first steps in establishing an on-site quality assurance pedigree for SPEEDUP trademark. The benchmark calculations consisted of SPEEDUP trademark Version 5.3L representations of five neutron kinetics benchmarks (each a mathematically stiff system of seven coupled ordinary differential equations), whose exact solutions are documented in the open literature. In all cases, SPEEDUP trademark solutions to be in excellent agreement with the reference solutions. A minor peculiarity in dealing with a non-existent discontinuity in the OPERATION section of the model made itself evident

  9. A unified approach to model uptake kinetics of trace elements in complex aqueous – solid solution systems

    International Nuclear Information System (INIS)

    Thien, Bruno M.J.; Kulik, Dmitrii A.; Curti, Enzo

    2014-01-01

    Highlights: • There are several models able to describe trace element partitioning in growing minerals. • To describe complex systems, those models must be embedded in a geochemical code. • We merged two models into a unified one suitable for implementation in a geochemical code. • This unified model was tested against coprecipitation experimental data. • We explored how our model reacts to solution depletion effects. - Abstract: Thermodynamics alone is usually not sufficient to predict growth-rate dependencies of trace element partitioning into host mineral solid solutions. In this contribution, two uptake kinetic models were analyzed that are promising in terms of mechanistic understanding and potential for implementation in geochemical modelling codes. The growth Surface Entrapment Model (Watson, 2004) and the Surface Reaction Kinetic Model (DePaolo, 2011) were shown to be complementary, and under certain assumptions merged into a single analytical expression. This Unified Uptake Kinetics Model was implemented in GEMS3K and GEM-Selektor codes ( (http://gems.web.psi.ch)), a Gibbs energy minimization package for geochemical modelling. This implementation extends the applicability of the unified uptake kinetics model to accounting for non-trivial factors influencing the trace element partitioning into solid solutions, such as the changes in aqueous solution composition and speciation, or the depletion effects in closed geochemical systems

  10. Analytical solution of Luedeking-Piret equation for a batch fermentation obeying Monod growth kinetics.

    Science.gov (United States)

    Garnier, Alain; Gaillet, Bruno

    2015-12-01

    Not so many fermentation mathematical models allow analytical solutions of batch process dynamics. The most widely used is the combination of the logistic microbial growth kinetics with Luedeking-Piret bioproduct synthesis relation. However, the logistic equation is principally based on formalistic similarities and only fits a limited range of fermentation types. In this article, we have developed an analytical solution for the combination of Monod growth kinetics with Luedeking-Piret relation, which can be identified by linear regression and used to simulate batch fermentation evolution. Two classical examples are used to show the quality of fit and the simplicity of the method proposed. A solution for the combination of Haldane substrate-limited growth model combined with Luedeking-Piret relation is also provided. These models could prove useful for the analysis of fermentation data in industry as well as academia. © 2015 Wiley Periodicals, Inc.

  11. Effects of Temperature on Aggregation Kinetics of Graphene Oxide in Aqueous Solutions

    Science.gov (United States)

    Wang, M.; Gao, B.; Tang, D.; Sun, H.; Yin, X.; Yu, C.

    2017-12-01

    Temperature may play an important role in controlling graphene oxide (GO) stability in aqueous solutions, but it has been overlooked in the literature. In this work, laboratory experiments were conducted to determine the effects of temperature (6, 25, and 40 °C) on GO aggregation kinetics under different combinations of ionic strength, cation type, humic acid (HA) concentration by monitoring GO hydrodynamic radii and attachment efficiencies. The results showed that, without HA, temperature increase promoted GO aggregation in both monovalent (Na+ and K+) and divalent (Ca2+) solutions. This phenomenon might be caused by multiple processes including enhanced collision frequency, enhanced cation dehydration, and reduced electrostatic repulsion. The presence of HA introduced steric repulsion forces that enhanced GO stability and temperature showed different effects GO aggregation kinetics in monovalent and divalent electrolytes. In monovalent electrolytes, cold temperature diminished the steric repulsion of HA-coated GO. As a result, the fastest increasing rate of GO hydrodynamic radius and the smallest critical coagulation concentration value appeared at the lowest temperature (6 °C). Conversely, in divalent electrolyte solutions with HA, high temperate favored GO aggregation, probably because the interactions between Ca2+ and HA increased with temperature resulting in lower HA coating on GO. Findings of this work emphasized the importance of temperature as well as solution chemistry on the stability and fate of GO nanoparticles in aquatic environment.

  12. Equilibrium and kinetic models for colloid release under transient solution chemistry conditions.

    Science.gov (United States)

    Bradford, Scott A; Torkzaban, Saeed; Leij, Feike; Simunek, Jiri

    2015-10-01

    We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and kinetic, and two-site kinetic models were developed to describe various rates of colloid release. These models were subsequently applied to experimental colloid release datasets to investigate the influence of variations in ionic strength (IS), pH, cation exchange, colloid size, and water velocity on release. Various combinations of equilibrium and/or kinetic release models were needed to describe the experimental data depending on the transient conditions and colloid type. Release of Escherichia coli D21g was promoted by a decrease in solution IS and an increase in pH, similar to expected trends for a reduction in the secondary minimum and nanoscale chemical heterogeneity. The retention and release of 20nm carboxyl modified latex nanoparticles (NPs) were demonstrated to be more sensitive to the presence of Ca(2+) than D21g. Specifically, retention of NPs was greater than D21g in the presence of 2mM CaCl2 solution, and release of NPs only occurred after exchange of Ca(2+) by Na(+) and then a reduction in the solution IS. These findings highlight the limitations of conventional interaction energy calculations to describe colloid retention and release, and point to the need to consider other interactions (e.g., Born, steric, and/or hydration forces) and/or nanoscale heterogeneity. Temporal changes in the water velocity did not have a large influence on the release of D21g for the examined conditions. This insensitivity was likely due to factors that reduce the applied hydrodynamic torque and/or increase the resisting adhesive torque; e.g., macroscopic roughness and grain-grain contacts. Our analysis and models improve our understanding and ability to describe the amounts

  13. Closed-form kinetic parameter estimation solution to the truncated data problem

    International Nuclear Information System (INIS)

    Zeng, Gengsheng L; Kadrmas, Dan J; Gullberg, Grant T

    2010-01-01

    In a dedicated cardiac single photon emission computed tomography (SPECT) system, the detectors are focused on the heart and the background is truncated in the projections. Reconstruction using truncated data results in biased images, leading to inaccurate kinetic parameter estimates. This paper has developed a closed-form kinetic parameter estimation solution to the dynamic emission imaging problem. This solution is insensitive to the bias in the reconstructed images that is caused by the projection data truncation. This paper introduces two new ideas: (1) it includes background bias as an additional parameter to estimate, and (2) it presents a closed-form solution for compartment models. The method is based on the following two assumptions: (i) the amount of the bias is directly proportional to the truncated activities in the projection data, and (ii) the background concentration is directly proportional to the concentration in the myocardium. In other words, the method assumes that the image slice contains only the heart and the background, without other organs, that the heart is not truncated, and that the background radioactivity is directly proportional to the radioactivity in the blood pool. As long as the background activity can be modeled, the proposed method is applicable regardless of the number of compartments in the model. For simplicity, the proposed method is presented and verified using a single compartment model with computer simulations using both noiseless and noisy projections.

  14. Transparent Data Encryption -- Solution for Security of Database Contents

    OpenAIRE

    Deshmukh, Dr. Anwar Pasha; Qureshi, Dr. Riyazuddin

    2013-01-01

    The present study deals with Transparent Data Encryption which is a technology used to solve the problems of security of data. Transparent Data Encryption means encrypting databases on hard disk and on any backup media. Present day global business environment presents numerous security threats and compliance challenges. To protect against data thefts and frauds we require security solutions that are transparent by design. Transparent Data Encryption provides transparent, standards-based secur...

  15. Analytic solution of boundary-value problems for nonstationary model kinetic equations

    International Nuclear Information System (INIS)

    Latyshev, A.V.; Yushkanov, A.A.

    1993-01-01

    A theory for constructing the solutions of boundary-value problems for non-stationary model kinetic equations is constructed. This theory was incorrectly presented equation, separation of the variables is used, this leading to a characteristic equation. Eigenfunctions are found in the space of generalized functions, and the eigenvalue spectrum is investigated. An existence and uniqueness theorem for the expansion of the Laplace transform of the solution with respect to the eigenfunctions is proved. The proof is constructive and gives explicit expressions for the expansion coefficients. An application to the Rayleigh problem is obtained, and the corresponding result of Cercignani is corrected

  16. OECD/NEA thermochemical database

    Energy Technology Data Exchange (ETDEWEB)

    Byeon, Kee Hoh; Song, Dae Yong; Shin, Hyun Kyoo; Park, Seong Won; Ro, Seung Gy

    1998-03-01

    This state of the art report is to introduce the contents of the Chemical Data-Service, OECD/NEA, and the results of survey by OECD/NEA for the thermodynamic and kinetic database currently in use. It is also to summarize the results of Thermochemical Database Projects of OECD/NEA. This report will be a guide book for the researchers easily to get the validate thermodynamic and kinetic data of all substances from the available OECD/NEA database. (author). 75 refs.

  17. Soil solution phosphorus turnover: derivation, interpretation, and insights from a global compilation of isotope exchange kinetic studies

    Science.gov (United States)

    Helfenstein, Julian; Jegminat, Jannes; McLaren, Timothy I.; Frossard, Emmanuel

    2018-01-01

    The exchange rate of inorganic phosphorus (P) between the soil solution and solid phase, also known as soil solution P turnover, is essential for describing the kinetics of bioavailable P. While soil solution P turnover (Km) can be determined by tracing radioisotopes in a soil-solution system, few studies have done so. We believe that this is due to a lack of understanding on how to derive Km from isotopic exchange kinetic (IEK) experiments, a common form of radioisotope dilution study. Here, we provide a derivation of calculating Km using parameters obtained from IEK experiments. We then calculated Km for 217 soils from published IEK experiments in terrestrial ecosystems, and also that of 18 long-term P fertilizer field experiments. Analysis of the global compilation data set revealed a negative relationship between concentrations of soil solution P and Km. Furthermore, Km buffered isotopically exchangeable P in soils with low concentrations of soil solution P. This finding was supported by an analysis of long-term P fertilizer field experiments, which revealed a negative relationship between Km and phosphate-buffering capacity. Our study highlights the importance of calculating Km for understanding the kinetics of P between the soil solid and solution phases where it is bioavailable. We argue that our derivation can also be used to calculate soil solution turnover of other environmentally relevant and strongly sorbing elements that can be traced with radioisotopes, such as zinc, cadmium, nickel, arsenic, and uranium.

  18. A thermodynamic and kinetic study of trace iron removal from aqueous cobalt sulfate solutions using Monophos resin.

    Science.gov (United States)

    Wang, Guangxin; Zhao, Yunchao; Yang, Bin; Song, Yongfa

    2018-01-01

    High purity cobalt has many important applications, such as magnetic recording media, magnetic recording heads, optoelectronic devices, magnetic sensors, and integrated circuits, etc. To produce 5N or higher purity cobalt in an electro-refining process, one of the challenges is to effectively reduce the Fe content of aqueous cobalt salt solution before electrolysis. This paper describes thermodynamic and kinetic investigations of the Fe adsorption process of a new sulfonated monophosphonic resin with the trade mark Monophos. Five cobalt sulfate solutions of different Co concentrations were prepared. Fe ions were removed from the solutions by ion exchange method using Monophos resin. Chemical analysis was carried out using a Perkin Elmer ICP-OES. The initial Fe concentrations of about 0.9-2.0 mg/L can be reduced to about 0.3-0.8 mg/L, which is equivalent to an Fe removal rate of 60-67%. The Langmuir isothermal adsorption model applies well to the Fe removal process. A second-order type based on McKay equation fits better with experimental data than other kinetic models. The kinetic curve can be divided into two sections. For t 30 min. Monophos resin is effective for the removal of trace Fe from cobalt sulfate solution. This ion exchange process obeys the Langmuir isothermal adsorption model and the McKay equation of second-order kinetics.

  19. Sonochemical Degradation Kinetics of Methyl Violet in Aqueous Solutions

    Directory of Open Access Journals (Sweden)

    Wei Lin Guo

    2003-01-01

    Full Text Available The sonochemical degradation in aqueous solution of methyl violet, chosen as a model of a basic dye, was studied. The ultrasonic degradation kinetics in water were found to be first-order and the degradation rate coefficient is 1.35×10-2 min-1 (R= 0.9934, n=8 at 20±1°C. The influence of the initial concentrations, reaction temperature and the pH of medium on the ultrasonic decomposition of methyl violet were also investigated.

  20. Kinetics of a new phase formation in supersaturated solid solutions. 1. Dilute one-component systems

    International Nuclear Information System (INIS)

    Dubinko, V.I.

    1991-07-01

    A complete set of kinetic equations describing the diffusion decay of supersaturated solutions, as well as the formation of new-phase fluctuations in equilibrium systems, is derived. A novel method of determining forward and backward reaction rates entering the master equation is proposed which does not require the use of any reference cluster size distribution, either the constrained or the true equilibrium one, employed in all modifications of the classical nucleation theory. Instead, this reference distribution can be obtained as an equilibrium solution of the present master equation. The main advantage of this method is the possibility to take into account various factors affecting the diffusion decay, such as the reaction kinetics at the precipitate surfaces and the diffusion kinetics in the mother phase with account of elastic interaction between nucleating species and their clusters. The latter is of a key importance in the irradiation environment considered in the forthcoming second part of the article. (author). 3 refs

  1. A calorimetric study of solute effects on the kinetic stability of a-amylase

    DEFF Research Database (Denmark)

    Olsen, Søren Nymand; Andersen, Kim Bruno; Øgendal, Lars Holm

    2009-01-01

    In this study we evaluated the applications of isothermal titration calorimetry (ITC) to Study solute effects on the kinetics of irreversible protein denaturation. More specifically, denaturation of Bacillus Halmapalus alpha-amylase (BHA) was initiated by addition of EDTA to the calorimetric cell...

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

    OpenAIRE

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

    2009-01-01

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

  3. MyMolDB: a micromolecular database solution with open source and free components.

    Science.gov (United States)

    Xia, Bing; Tai, Zheng-Fu; Gu, Yu-Cheng; Li, Bang-Jing; Ding, Li-Sheng; Zhou, Yan

    2011-10-01

    To manage chemical structures in small laboratories is one of the important daily tasks. Few solutions are available on the internet, and most of them are closed source applications. The open-source applications typically have limited capability and basic cheminformatics functionalities. In this article, we describe an open-source solution to manage chemicals in research groups based on open source and free components. It has a user-friendly interface with the functions of chemical handling and intensive searching. MyMolDB is a micromolecular database solution that supports exact, substructure, similarity, and combined searching. This solution is mainly implemented using scripting language Python with a web-based interface for compound management and searching. Almost all the searches are in essence done with pure SQL on the database by using the high performance of the database engine. Thus, impressive searching speed has been archived in large data sets for no external Central Processing Unit (CPU) consuming languages were involved in the key procedure of the searching. MyMolDB is an open-source software and can be modified and/or redistributed under GNU General Public License version 3 published by the Free Software Foundation (Free Software Foundation Inc. The GNU General Public License, Version 3, 2007. Available at: http://www.gnu.org/licenses/gpl.html). The software itself can be found at http://code.google.com/p/mymoldb/. Copyright © 2011 Wiley Periodicals, Inc.

  4. An accurate solution of point reactor neutron kinetics equations of multi-group of delayed neutrons

    International Nuclear Information System (INIS)

    Yamoah, S.; Akaho, E.H.K.; Nyarko, B.J.B.

    2013-01-01

    Highlights: ► Analytical solution is proposed to solve the point reactor kinetics equations (PRKE). ► The method is based on formulating a coefficient matrix of the PRKE. ► The method was applied to solve the PRKE for six groups of delayed neutrons. ► Results shows good agreement with other traditional methods in literature. ► The method is accurate and efficient for solving the point reactor kinetics equations. - Abstract: The understanding of the time-dependent behaviour of the neutron population in a nuclear reactor in response to either a planned or unplanned change in the reactor conditions is of great importance to the safe and reliable operation of the reactor. In this study, an accurate analytical solution of point reactor kinetics equations with multi-group of delayed neutrons for specified reactivity changes is proposed to calculate the change in neutron density. The method is based on formulating a coefficient matrix of the homogenous differential equations of the point reactor kinetics equations and calculating the eigenvalues and the corresponding eigenvectors of the coefficient matrix. A small time interval is chosen within which reactivity relatively stays constant. The analytical method was applied to solve the point reactor kinetics equations with six-groups delayed neutrons for a representative thermal reactor. The problems of step, ramp and temperature feedback reactivities are computed and the results compared with other traditional methods. The comparison shows that the method presented in this study is accurate and efficient for solving the point reactor kinetics equations of multi-group of delayed neutrons

  5. 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

  6. 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.

  7. Kinetics of radiocesium released from contaminated soil by fertilizer solutions

    International Nuclear Information System (INIS)

    Chiang, P.N.; Wang, M.K.; Huang, P.M.; Wang, J.J.

    2008-01-01

    137 Cs is one of the major artificial radionuclides found in environments; but the mechanisms behind fertilizer-induced 137 Cs desorption from soil remain unknown. This study aimed to investigate the kinetics and mechanisms underlying the various cations and anions that cause Cs release from soil under acidic conditions. NH 4 H 2 PO 4 (1 M), 0.5 M (NH 4 ) 2 SO 4 , 1 M NH 4 Cl, 1 M KCl or 1 M NaCl solutions were added to 137 Cs-contaminated soil. The power function model well described the short term 137 Cs desorption with the solutions. The rate coefficients for 137 Cs release from soil in NH 4 H 2 PO 4 , (NH 4 ) 2 SO 4 , NH 4 Cl, and KCl solutions were 7.7, 7.3, 6.8, and 6.1 times higher than the rate observed in a NaCl solution, respectively. The NH 4 H 2 PO 4 and (NH 4 ) 2 SO 4 solutions induced significantly greater 137 Cs release from the contaminated soil than the NH 4 Cl, KCl and NaCl solutions. After four times repeated extractions with the fertilizer solutions, the total amount of 137 Cs extracted by (NH 4 ) 2 SO 4 and NH 4 Cl solutions reached equilibrium, while that extracted using an NH 4 H 2 PO 4 solution continued to increase. The combined effect of phosphate and protons was the major mechanism behind 137 Cs release from contaminated soils, when an NH 4 H 2 PO 4 solution was used

  8. STEREOCHEMICAL ASPECTS OF HYDRATION OF CARBOHYDRATES IN AQUEOUS-SOLUTIONS .2. KINETIC MEDIUM EFFECTS

    NARCIS (Netherlands)

    GALEMA, SA; BLANDAMER, MJ; ENGBERTS, JBFN

    1992-01-01

    Rate constants for the hydrolysis of 1-benzoyl-3-phenyl-1,2,4-triazole in aqueous solutions of carbohydrates have been measured as a function of molality and nature of added mono- and disaccharides. The kinetic medium effects induced by the carbohydrates originate from hydration sphere overlap

  9. An accurate technique for the solution of the nonlinear point kinetics equations

    International Nuclear Information System (INIS)

    Picca, Paolo; Ganapol, Barry D.; Furfaro, Roberto

    2011-01-01

    A novel methodology for the solution of non-linear point kinetic (PK) equations is proposed. The technique is based on a piecewise constant approximation of PK system of ODEs and explicitly accounts for reactivity feedback effects, through an iterative cycle. High accuracy is reached by introducing a sub-mesh for the numerical evaluation of integrals involved and by correcting the source term to include the non-linear effect on a finer time scale. The use of extrapolation techniques for convergence acceleration is also explored. Results for adiabatic feedback model are reported and compared with other benchmarks in literature. The convergence trend makes the algorithm particularly attractive for applications, including in multi-point kinetics and quasi-static frameworks. (author)

  10. On a closed form solution of the point kinetics equations with reactivity feedback of temperature

    International Nuclear Information System (INIS)

    Silva, Jeronimo J.A.; Vilhena, Marco T.M.B.; Petersen, Claudio Z.; Bodmann, Bardo E.J.; Alvim, Antonio C.M.

    2011-01-01

    An analytical solution of the point kinetics equations to calculate reactivity as a function of time by the Decomposition method has recently appeared in the literature. In this paper, we go one step forward, by considering the neutron point kinetics equations together with temperature feedback effects. To accomplish that, we extended the point kinetics by a temperature perturbation, obtaining a second order nonlinear ordinary differential equation. This equation is then solved by the Decomposition Method, that is, by expanding the neutron density in a series and the nonlinear terms into Adomian Polynomials. Substituting these expansions into the nonlinear ordinary equation, we construct a recursive set of linear problems that can be solved by the methodology previously mentioned for the point kinetics equation. We also report on numerical simulations and comparisons against literature results. (author)

  11. Estimation of the growth kinetics for the cooling crystallisation of paracetamol and ethanol solutions

    Science.gov (United States)

    Mitchell, Niall A.; Ó'Ciardhá, Clifford T.; Frawley, Patrick J.

    2011-08-01

    This work details the estimation of the growth kinetics of paracetamol in ethanol solutions for cooling crystallisation processes, by means of isothermal seeded batch experiments. The growth kinetics of paracetamol crystals were evaluated in isolation, with the growth rate assumed to be size independent. Prior knowledge of the Metastable Zone Width (MSZW) was required, so that supersaturation ratios of 1.7-1.1 could be induced in solution without the occurrence of nucleation. The technique involved the utilisation of two in-situ Process Analytical Techniques (PATs), with a Focused Beam Reflectance Measurement (FBRM ®) utilised to ensure that negligible nucleation occurred and an Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) probe employed for online monitoring of solute concentration. Initial Particle Size Distributions (PSDs) were used in conjunction with desupersaturation profiles to determine the growth rate as a function of temperature and supersaturation. Furthermore, the effects of seed loading and size on the crystal growth rate were investigated. A numerical model, incorporating the population balance equation and the method of moments, was utilised to describe the crystal growth process. Experimental parameters were compared to the model simulation, with the accuracy of the model validated by means of the final product PSDs and solute concentration.

  12. Kinetics of γ-rays induced decoloration of textile dye aqueous solutions

    International Nuclear Information System (INIS)

    Perkowski, J.; Ledakowicz, S.; Nowicki, L.

    1987-01-01

    The γ-rays induced decoloration of aqueous solutions of commercial dyes has been studied. Four chemical classes of dyes were applied. The initial dye concentration and the irradiation dose rate ranged from 0.025 to 0.250 g/dm 3 and 0.014 to 2.0 Gy/s respectively. On the base of obtained experimental data the kinetic paramaters in the proposed rate equation were calculated. 8 refs., 8 figs., 2 tabs. (author)

  13. Analytical solution of point kinetics equations for linear reactivity variation during the start-up of a nuclear reactor

    International Nuclear Information System (INIS)

    Palma, Daniel A.P.; Martinez, Aquilino S.; Goncalves, Alessandro C.

    2009-01-01

    The analytical solution of point kinetics equations with a group of delayed neutrons is useful in predicting the variation of neutron density during the start-up of a nuclear reactor. In the practical case of an increase of nuclear reactor power resulting from the linear insertion of reactivity, the exact analytical solution cannot be obtained. Approximate solutions have been obtained in previous articles, based on considerations that need to be verifiable in practice. In the present article, an alternative analytic solution is presented for point kinetics equations in which the only approximation consists of disregarding the term of the second derivative for neutron density in relation to time. The results proved satisfactory when applied to practical situations in the start-up of a nuclear reactor through the control rods withdraw.

  14. Analytical solution of point kinetics equations for linear reactivity variation during the start-up of a nuclear reactor

    Energy Technology Data Exchange (ETDEWEB)

    Palma, Daniel A.P. [CEFET QUIMICA de Nilopolis/RJ, 21941-914 Rio de Janeiro (Brazil)], E-mail: agoncalves@con.ufrj.br; Martinez, Aquilino S.; Goncalves, Alessandro C. [COPPE/UFRJ - Programa de Engenharia Nuclear, Rio de Janeiro (Brazil)

    2009-09-15

    The analytical solution of point kinetics equations with a group of delayed neutrons is useful in predicting the variation of neutron density during the start-up of a nuclear reactor. In the practical case of an increase of nuclear reactor power resulting from the linear insertion of reactivity, the exact analytical solution cannot be obtained. Approximate solutions have been obtained in previous articles, based on considerations that need to be verifiable in practice. In the present article, an alternative analytic solution is presented for point kinetics equations in which the only approximation consists of disregarding the term of the second derivative for neutron density in relation to time. The results proved satisfactory when applied to practical situations in the start-up of a nuclear reactor through the control rods withdraw.

  15. An online interactive geometric database including exact solutions of Einstein's field equations

    International Nuclear Information System (INIS)

    Ishak, Mustapha; Lake, Kayll

    2002-01-01

    We describe a new interactive database (GRDB) of geometric objects in the general area of differential geometry. Database objects include, but are not restricted to, exact solutions of Einstein's field equations. GRDB is designed for researchers (and teachers) in applied mathematics, physics and related fields. The flexible search environment allows the database to be useful over a wide spectrum of interests, for example, from practical considerations of neutron star models in astrophysics to abstract space-time classification schemes. The database is built using a modular and object-oriented design and uses several Java technologies (e.g. Applets, Servlets, JDBC). These are platform-independent and well adapted for applications developed for the World Wide Web. GRDB is accompanied by a virtual calculator (GRTensorJ), a graphical user interface to the computer algebra system GRTensorII, used to perform online coordinate, tetrad or basis calculations. The highly interactive nature of GRDB allows systematic internal self-checking and minimization of the required internal records. This new database is now available online at http://grdb.org

  16. Analytic solution of vector model kinetic equations with constant kernel and their applications

    International Nuclear Information System (INIS)

    Latyshev, A.V.

    1993-01-01

    For the first time exact solutions the heif-space boundary value problems for model kinetic equations is obtained. Here x > 0, μ is an element of (-∞, 0) union (0, +∞), Σ = diag {σ 1 , σ 2 }, C = [c ij ] - 2 x 2-matrix, Ψ (x, μ) is vector-column with elements ψ 1 and ψ 2 . Exact solution of the diffusion slip flow of the binary gas mixture as a application for the model Boltzmann equation with collision operator in the McCormack's form is found. 18 refs

  17. Kinetics and thermodynamics of Pb(II) adsorption onto modified spent grain from aqueous solutions

    International Nuclear Information System (INIS)

    Li Qingzhu; Chai Liyuan; Yang Zhihui; Wang Qingwei

    2009-01-01

    Spent grain, a main by-product of the brewing industry, is available in large quantities, but its main application has been limited to animal feeding. Nevertheless, in this study, spent grain modified with 1 M NaCl solution as a novel adsorbent has been used for the adsorption of Pb(II) in aqueous solutions. Isotherms, kinetics and thermodynamics of Pb(II) adsorption onto modified spent grain were studied. The equilibrium data were well fitted with Langmuir, Freundlich and Dubinin-Radushkevick (D-R) isotherm models. The kinetics of Pb(II) adsorption followed pseudo-second-order model, using the rate constants of pseudo-second-order model, the activation energy (E a ) of Pb(II) adsorption was determined as 12.33 kJ mol -1 according to the Arrhenius equation. Various thermodynamic parameters such as ΔG ads , ΔH ads and ΔS ads were also calculated. Thermodynamic results indicate that Pb(II) adsorption onto modified spent grain is a spontaneous and endothermic process. Therefore, it can be concluded that modified spent grain as a new effective adsorbent has potential for Pb(II) removal from aqueous solutions.

  18. Kinetic and equilibrium studies of cesium adsorption on ceiling tiles from aqueous solutions.

    Science.gov (United States)

    Miah, Muhammed Yusuf; Volchek, Konstantin; Kuang, Wenxing; Tezel, F Handan

    2010-11-15

    A series of experiments were performed to quantify the adsorption of cesium on ceiling tiles as a representative of urban construction materials. Adsorption was carried out from solutions to mimic wet environmental conditions. Non-radioactive cesium chloride was used as a surrogate of the radioactive (137)Cs. The experiments were performed in the range of initial cesium concentrations of 0.114-23.9 mg L(-1) at room temperature (21°C) around three weeks. Solution samples were taken after set periods of time and analyzed by inductively coupled plasma mass spectrometry (ICP-MS). The quantity of adsorbed Cs was calculated by mass balance as a function of time. Two kinetic and three equilibrium models were employed to interpret the test results. Determination of kinetic parameters for adsorption was carried out using the first-order reaction model and the intra-particle diffusion model. Adsorption equilibrium was studied using Langmuir, Freundlich and three-parameter Langmuir-Freundlich adsorption isotherm models. A satisfactory correlation between the experimental and the predicted values was observed. Crown Copyright © 2010. Published by Elsevier B.V. All rights reserved.

  19. Kinetic and equilibrium studies of cesium adsorption on ceiling tiles from aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Miah, Muhammed Yusuf [Emergencies Science and Technology Section, Environment Canada, 335 River Road, Ottawa, Ontario, K1A 0H3 (Canada); Department of Applied Chemistry and Chemical Technology, Noakhali Science and Technology University (Bangladesh); Volchek, Konstantin, E-mail: Konstantin.Volchek@ec.gc.ca [Emergencies Science and Technology Section, Environment Canada, 335 River Road, Ottawa, Ontario, K1A 0H3 (Canada); Kuang, Wenxing [SAIC Canada, 335 River Road, Ottawa, Ontario, K1A 0H3 (Canada); Tezel, F. Handan [Department of Chemical and Biological Engineering, University of Ottawa, 161 Louis-Pasteur, Ottawa, Ontario, K1N 6N5 (Canada)

    2010-11-15

    A series of experiments were performed to quantify the adsorption of cesium on ceiling tiles as a representative of urban construction materials. Adsorption was carried out from solutions to mimic wet environmental conditions. Non-radioactive cesium chloride was used as a surrogate of the radioactive {sup 137}Cs. The experiments were performed in the range of initial cesium concentrations of 0.114-23.9 mg L{sup -1} at room temperature (21 deg. C) around three weeks. Solution samples were taken after set periods of time and analyzed by inductively coupled plasma mass spectrometry (ICP-MS). The quantity of adsorbed Cs was calculated by mass balance as a function of time. Two kinetic and three equilibrium models were employed to interpret the test results. Determination of kinetic parameters for adsorption was carried out using the first-order reaction model and the intra-particle diffusion model. Adsorption equilibrium was studied using Langmuir, Freundlich and three-parameter Langmuir-Freundlich adsorption isotherm models. A satisfactory correlation between the experimental and the predicted values was observed.

  20. DASTCOM5: A Portable and Current Database of Asteroid and Comet Orbit Solutions

    Science.gov (United States)

    Giorgini, Jon D.; Chamberlin, Alan B.

    2014-11-01

    A portable direct-access database containing all NASA/JPL asteroid and comet orbit solutions, with the software to access it, is available for download (ftp://ssd.jpl.nasa.gov/pub/xfr/dastcom5.zip; unzip -ao dastcom5.zip). DASTCOM5 contains the latest heliocentric IAU76/J2000 ecliptic osculating orbital elements for all known asteroids and comets as determined by a least-squares best-fit to ground-based optical, spacecraft, and radar astrometric measurements. Other physical, dynamical, and covariance parameters are included when known. A total of 142 parameters per object are supported within DASTCOM5. This information is suitable for initializing high-precision numerical integrations, assessing orbit geometry, computing trajectory uncertainties, visual magnitude, and summarizing physical characteristics of the body. The DASTCOM5 distribution is updated as often as hourly to include newly discovered objects or orbit solution updates. It includes an ASCII index of objects that supports look-ups based on name, current or past designation, SPK ID, MPC packed-designations, or record number. DASTCOM5 is the database used by the NASA/JPL Horizons ephemeris system. It is a subset exported from a larger MySQL-based relational Small-Body Database ("SBDB") maintained at JPL. The DASTCOM5 distribution is intended for programmers comfortable with UNIX/LINUX/MacOSX command-line usage who need to develop stand-alone applications. The goal of the implementation is to provide small, fast, portable, and flexibly programmatic access to JPL comet and asteroid orbit solutions. The supplied software library, examples, and application programs have been verified under gfortran, Lahey, Intel, and Sun 32/64-bit Linux/UNIX FORTRAN compilers. A command-line tool ("dxlook") is provided to enable database access from shell or script environments.

  1. Technetium electrodeposition from aqueous formate solutions: electrolysis kinetics and material balance study

    International Nuclear Information System (INIS)

    Maslennikov, A.; Peretroukhine, V.

    1998-01-01

    The kinetics of the Tc electrodeposition and the material balance of potentiostatic electrolysis of formate buffer solutions (pH = 1.79-8.5) containing 5*10 -4 - 1*10 -2 M Tc(VII) at graphite cathode has been studied. The deposition of Tc from the solution was found to become possible at E x *y H 2 O (x ≤ 2, 1.5 cath. ) towards more negative values and the augmentation of the electrolyte surface/volume ratio (S/V) were found to increase the yield of the electrolysis and the rate of the electrodeposition process. A maximum technetium recovery of 92-95% has been observed in the electrolysis of neutral HCOONa solutions (pH = 6.0-7.5, μ = 1.0) containing up to 5*10 -1 M Tc(VII) at potentials of the graphite cathode E 2 . A starting Tc concentration in the solution of [Tc(VII)] > 5 *10 -1 M and the presence of more than 0.05 M NO 3 - in the electrolyte were found to suppress the recovery of technetium from the solution. (orig.)

  2. Phynx: an open source software solution supporting data management and web-based patient-level data review for drug safety studies in the general practice research database and other health care databases.

    Science.gov (United States)

    Egbring, Marco; Kullak-Ublick, Gerd A; Russmann, Stefan

    2010-01-01

    To develop a software solution that supports management and clinical review of patient data from electronic medical records databases or claims databases for pharmacoepidemiological drug safety studies. We used open source software to build a data management system and an internet application with a Flex client on a Java application server with a MySQL database backend. The application is hosted on Amazon Elastic Compute Cloud. This solution named Phynx supports data management, Web-based display of electronic patient information, and interactive review of patient-level information in the individual clinical context. This system was applied to a dataset from the UK General Practice Research Database (GPRD). Our solution can be setup and customized with limited programming resources, and there is almost no extra cost for software. Access times are short, the displayed information is structured in chronological order and visually attractive, and selected information such as drug exposure can be blinded. External experts can review patient profiles and save evaluations and comments via a common Web browser. Phynx provides a flexible and economical solution for patient-level review of electronic medical information from databases considering the individual clinical context. It can therefore make an important contribution to an efficient validation of outcome assessment in drug safety database studies.

  3. Kinetics of dodecanoic acid adsorption from caustic solution by activated carbon.

    Science.gov (United States)

    Pendleton, Phillip; Wu, Sophie Hua

    2003-10-15

    This study examines the influences of adsorbent porosity and surface chemistry and of carbon dosage on dodecanoic acid adsorption kinetics from aqueous and 2 M NaOH solutions as batch adsorption processes. Both adsorbents are steam-activated carbons prepared from either coconut or coal precursors. Prior to use the adsorbents were washed in deionized water or 2 M NaOH. Mass transfer coefficients and effective overall diffusion coefficients indicate a minor contribution from adsorbent porosity. In contrast, high surface oxygen content impedes transport to and into the adsorbent structure. Carbon dosage shows a proportional increase in transport coefficients with increasing mass; these coefficients are constant when normalized per unit mass. Neither water nor NaOH treatment of the adsorbents has a significant influence on dodecanoic acid adsorption kinetics. Molecular and Knudsen diffusion coefficients are defined to demonstrate that the overall effective diffusion coefficient values and the diffusion process are controlled by surface diffusion.

  4. On the exact solution for the multi-group kinetic neutron diffusion equation in a rectangle

    International Nuclear Information System (INIS)

    Petersen, C.Z.; Vilhena, M.T.M.B. de; Bodmann, B.E.J.

    2011-01-01

    In this work we consider the two-group bi-dimensional kinetic neutron diffusion equation. The solution procedure formalism is general with respect to the number of energy groups, neutron precursor families and regions with different chemical compositions. The fast and thermal flux and the delayed neutron precursor yields are expanded in a truncated double series in terms of eigenfunctions that, upon insertion into the kinetic equation and upon taking moments, results in a first order linear differential matrix equation with source terms. We split the matrix appearing in the transformed problem into a sum of a diagonal matrix plus the matrix containing the remaining terms and recast the transformed problem into a form that can be solved in the spirit of Adomian's recursive decomposition formalism. Convergence of the solution is guaranteed by the Cardinal Interpolation Theorem. We give numerical simulations and comparisons with available results in the literature. (author)

  5. 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.

  6. 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

  7. A Spatio-Temporal Building Exposure Database and Information Life-Cycle Management Solution

    Directory of Open Access Journals (Sweden)

    Marc Wieland

    2017-04-01

    Full Text Available With an ever-increasing volume and complexity of data collected from a variety of sources, the efficient management of geospatial information becomes a key topic in disaster risk management. For example, the representation of assets exposed to natural disasters is subjected to changes throughout the different phases of risk management reaching from pre-disaster mitigation to the response after an event and the long-term recovery of affected assets. Spatio-temporal changes need to be integrated into a sound conceptual and technological framework able to deal with data coming from different sources, at varying scales, and changing in space and time. Especially managing the information life-cycle, the integration of heterogeneous information and the distributed versioning and release of geospatial information are important topics that need to become essential parts of modern exposure modelling solutions. The main purpose of this study is to provide a conceptual and technological framework to tackle the requirements implied by disaster risk management for describing exposed assets in space and time. An information life-cycle management solution is proposed, based on a relational spatio-temporal database model coupled with Git and GeoGig repositories for distributed versioning. Two application scenarios focusing on the modelling of residential building stocks are presented to show the capabilities of the implemented solution. A prototype database model is shared on GitHub along with the necessary scenario data.

  8. THE KINETICS OF NH(4)+ AND NO3(-) UPTAKE BY DOUGLAS-FIR FROM SINGLE N-SOLUTIONS AND FROM SOLUTIONS CONTAINING BOTH NH(4)+ AND NO3(-)

    NARCIS (Netherlands)

    KAMMINGAVANWIJK, C; PRINS, HBA

    The kinetics of NH4+ and NO3- uptake in young Douglas fir trees (Pseudotsuga menziesii [Mirb.] Franco) were studied in solutions, containing either one or both N species. Using solutions containing a single N species, the V(max) of NH4+ uptake was higher than that of NO3- uptake. The K(m) of NH4+

  9. Kinetics of Ni3S2 sulfide dissolution in solutions of sulfuric and hydrochloric acids

    Science.gov (United States)

    Palant, A. A.; Bryukvin, V. A.; Vinetskaya, T. N.; Makarenkova, T. A.

    2008-02-01

    The kinetics of Ni3S2 sulfide (heazlewoodite) dissolution in solutions of hydrochloric and sulfuric acids is studied. The process under study in the temperature range of 30 90°C is found to occur in a kinetic regime and is controlled by the corresponding chemical reactions of the Ni3S2 decomposition by solutions of inorganic acids ( E a = 67 92 kJ/mol, or 16 22 kcal/mol). The only exception is the Ni3S2-HCl system at elevated temperatures (60 90°C). In this case, the apparent activation energy decreases sharply to 8.8 kJ/mol (2.1 kcal/mol), which is explained by the catalytic effect of gaseous chlorine formed under these conditions. The studies performed are related to the physicochemical substantiation of the hydrometallurgical processing of the copper-nickel converter mattes produced in the industrial cycle of the Norilsk Mining Company.

  10. Microsoft Access Small Business Solutions State-of-the-Art Database Models for Sales, Marketing, Customer Management, and More Key Business Activities

    CERN Document Server

    Hennig, Teresa; Linson, Larry; Purvis, Leigh; Spaulding, Brent

    2010-01-01

    Database models developed by a team of leading Microsoft Access MVPs that provide ready-to-use solutions for sales, marketing, customer management and other key business activities for most small businesses. As the most popular relational database in the world, Microsoft Access is widely used by small business owners. This book responds to the growing need for resources that help business managers and end users design and build effective Access database solutions for specific business functions. Coverage includes::; Elements of a Microsoft Access Database; Relational Data Model; Dealing with C

  11. Fibrillization kinetics of insulin solution in an interfacial shearing flow

    Science.gov (United States)

    Balaraj, Vignesh; McBride, Samantha; Hirsa, Amir; Lopez, Juan

    2015-11-01

    Although the association of fibril plaques with neurodegenerative diseases like Alzheimer's and Parkinson's is well established, in-depth understanding of the roles played by various physical factors in seeding and growth of fibrils is far from well known. Of the numerous factors affecting this complex phenomenon, the effect of fluid flow and shear at interfaces is paramount as it is ubiquitous and the most varying factor in vivo. Many amyloidogenic proteins have been found to denature upon contact at hydrophobic interfaces due to the self-assembling nature of protein in its monomeric state. Here, fibrillization kinetics of insulin solution is studied in an interfacial shearing flow. The transient surface rheological response of the insulin solution to the flow and its effect on the bulk fibrillization process has been quantified. Minute differences in hydrophobic characteristics between two variants of insulin- Human recombinant and Bovine insulin are found to result in very different responses. Results presented will be in the form of fibrillization assays, images of fibril plaques formed, and changes in surface rheological properties of the insulin solution. The interfacial velocity field, measured from images (via Brewster Angle Microscopy), is compared with computations. Supported by NNX13AQ22G, National Aeronautics and Space Administration.

  12. Numerical Solution of Fractional Neutron Point Kinetics Model in Nuclear Reactor

    Directory of Open Access Journals (Sweden)

    Nowak Tomasz Karol

    2014-06-01

    Full Text Available This paper presents results concerning solutions of the fractional neutron point kinetics model for a nuclear reactor. Proposed model consists of a bilinear system of fractional and ordinary differential equations. Three methods to solve the model are presented and compared. The first one entails application of discrete Grünwald-Letnikov definition of the fractional derivative in the model. Second involves building an analog scheme in the FOMCON Toolbox in MATLAB environment. Third is the method proposed by Edwards. The impact of selected parameters on the model’s response was examined. The results for typical input were discussed and compared.

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

    International Nuclear Information System (INIS)

    Onal, Yunus

    2006-01-01

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

  14. Solutions for medical databases optimal exploitation.

    Science.gov (United States)

    Branescu, I; Purcarea, V L; Dobrescu, R

    2014-03-15

    The paper discusses the methods to apply OLAP techniques for multidimensional databases that leverage the existing, performance-enhancing technique, known as practical pre-aggregation, by making this technique relevant to a much wider range of medical applications, as a logistic support to the data warehousing techniques. The transformations have practically low computational complexity and they may be implemented using standard relational database technology. The paper also describes how to integrate the transformed hierarchies in current OLAP systems, transparently to the user and proposes a flexible, "multimodel" federated system for extending OLAP querying to external object databases.

  15. Kiche: A simulation tool for kinetics of iodine chemistry in the containment of light water reactors under severe accident conditions (Contract research)

    International Nuclear Information System (INIS)

    Moriyama, Kiyofumi; Maruyama, Yu; Nakamura, Hideo

    2011-03-01

    An iodine chemistry simulation tool, Kiche, was developed for analyses of chemical kinetics relevant to iodine volatilization in the containment vessel of light water reactors (LWRs) during a severe accident. It consists of a Fortran code to solve chemical kinetics models, reaction databases written in plain text format, and peripheral tools to convert the reaction databases into Fortran codes to solve corresponding ordinary differential equation sets. Potential advantages of Kiche are the text format reaction database separated from the code that provides flexibility of the chemistry model, and, being a Fortran code which is relatively easily coupled with other Fortran codes such as severe accident analysis codes. This document describes the model, solution method, code structure, and examples of application of Kiche for simulation of experiments. The calculation results by the present model agreed well with the experimental data and it indicates the model properly includes the most important processes in the volatilization of iodine from irradiated iodide solutions with or without organic impurities. The appendixes give practical information for the usage of Kiche. (author)

  16. Kinetics and mechanism of sphalerite leaching by sodium nitrate in sulphuric acid solution

    Directory of Open Access Journals (Sweden)

    Sokić M.

    2012-01-01

    Full Text Available Interest for application of hydrometallurgical processes in a processing of complex sulphide ores and concentrates has increased in recent years. Their application provides better metal recoveries and reduced emission of gaseous and toxic ageneses in the environment. The kinetics and mechanism of sphalerite leaching from complex sulphide concentrate with sulphuric acid and sodium nitrate solution at standard conditions was presented in this paper. The influences of temperature and time on the leaching degree of zinc were investigated and kinetic analysis of the process was accomplished. With temperature increasing from 60 to 90°C, the zinc leaching increased from 25.23% to 71.66% after 2 hours, i.e. from 59.40% to 99.83% after 4 hours. The selected kinetic model indicated that the diffusion through the product layer was the rate-controlling step during the sphalerite leaching. The activation energy was determined to be 55 kJ/mol in the temperature range 60-90°C. XRD, light microscopy and SEM/EDX analyses of the complex concentrate and leach residue confirmed formation of elemental sulphur and diffusion-controlled leaching mechanism.

  17. Specific features of kinetics of He3-He4 solid solution transformations at superlow temperatures

    International Nuclear Information System (INIS)

    Mikheev, V.A.; Majdanov, V.A.; Mikhin, N.P.

    1986-01-01

    The NMR data on the phase transition kinetics of 3 He- 4 He solid solutions at T=100 mK are considered. Studied are solid helium samples of a molecular volume of 20.55 cm 2 /mol with a 3 He content of 0.54 %. An unusually long phase transition time is found which is dependent on the prehistory of sample. The spin diffusion of 3 He in the transformated solution concentrated phase is found to be of a quasi-one-dimensional nature with the diffusion coefficient value typical of liquid

  18. Different nonideality relationships, different databases and their effects on modeling precipitation from concentrated solutions using numerical speciation codes

    Energy Technology Data Exchange (ETDEWEB)

    Brown, L.F.; Ebinger, M.H.

    1996-08-01

    Four simple precipitation problems are solved to examine the use of numerical equilibrium codes. The study emphasizes concentrated solutions, assumes both ideal and nonideal solutions, and employs different databases and different activity-coefficient relationships. The study uses the EQ3/6 numerical speciation codes. The results show satisfactory material balances and agreement between solubility products calculated from free-energy relationships and those calculated from concentrations and activity coefficients. Precipitates show slightly higher solubilities when the solutions are regarded as nonideal than when considered ideal, agreeing with theory. When a substance may precipitate from a solution dilute in the precipitating substance, a code may or may not predict precipitation, depending on the database or activity-coefficient relationship used. In a problem involving a two-component precipitation, there are only small differences in the precipitate mass and composition between the ideal and nonideal solution calculations. Analysis of this result indicates that this may be a frequent occurrence. An analytical approach is derived for judging whether this phenomenon will occur in any real or postulated precipitation situation. The discussion looks at applications of this approach. In the solutes remaining after the precipitations, there seems to be little consistency in the calculated concentrations and activity coefficients. They do not appear to depend in any coherent manner on the database or activity-coefficient relationship used. These results reinforce warnings in the literature about perfunctory or mechanical use of numerical speciation codes.

  19. Kinetics of Surfactant Desorption at an Air–Solution Interface

    KAUST Repository

    Morgan, C. E.

    2012-12-18

    The kinetics of re-equilibration of the anionic surfactant sodium dodecylbenzene sulfonate at the air-solution interface have been studied using neutron reflectivity. The experimental arrangement incorporates a novel flow cell in which the subphase can be exchanged (diluted) using a laminar flow while the surface region remains unaltered. The rate of the re-equilibration is relatively slow and occurs over many tens of minutes, which is comparable with the dilution time scale of approximately 10-30 min. A detailed mathematical model, in which the rate of the desorption is determined by transport through a near-surface diffusion layer into a diluted bulk solution below, is developed and provides a good description of the time-dependent adsorption data. A key parameter of the model is the ratio of the depth of the diffusion layer, H c, to the depth of the fluid, Hf, and we find that this is related to the reduced Péclet number, Pe*, for the system, via Hc/Hf = C/Pe*1/2. Although from a highly idealized experimental arrangement, the results provide an important insight into the "rinse mechanism", which is applicable to a wide variety of domestic and industrial circumstances. © 2012 American Chemical Society.

  20. Database Search Engines: Paradigms, Challenges and Solutions.

    Science.gov (United States)

    Verheggen, Kenneth; Martens, Lennart; Berven, Frode S; Barsnes, Harald; Vaudel, Marc

    2016-01-01

    The first step in identifying proteins from mass spectrometry based shotgun proteomics data is to infer peptides from tandem mass spectra, a task generally achieved using database search engines. In this chapter, the basic principles of database search engines are introduced with a focus on open source software, and the use of database search engines is demonstrated using the freely available SearchGUI interface. This chapter also discusses how to tackle general issues related to sequence database searching and shows how to minimize their impact.

  1. 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

  2. Compactness and robustness: Applications in the solution of integral equations for chemical kinetics and electromagnetic scattering

    Science.gov (United States)

    Zhou, Yajun

    This thesis employs the topological concept of compactness to deduce robust solutions to two integral equations arising from chemistry and physics: the inverse Laplace problem in chemical kinetics and the vector wave scattering problem in dielectric optics. The inverse Laplace problem occurs in the quantitative understanding of biological processes that exhibit complex kinetic behavior: different subpopulations of transition events from the "reactant" state to the "product" state follow distinct reaction rate constants, which results in a weighted superposition of exponential decay modes. Reconstruction of the rate constant distribution from kinetic data is often critical for mechanistic understandings of chemical reactions related to biological macromolecules. We devise a "phase function approach" to recover the probability distribution of rate constants from decay data in the time domain. The robustness (numerical stability) of this reconstruction algorithm builds upon the continuity of the transformations connecting the relevant function spaces that are compact metric spaces. The robust "phase function approach" not only is useful for the analysis of heterogeneous subpopulations of exponential decays within a single transition step, but also is generalizable to the kinetic analysis of complex chemical reactions that involve multiple intermediate steps. A quantitative characterization of the light scattering is central to many meteoro-logical, optical, and medical applications. We give a rigorous treatment to electromagnetic scattering on arbitrarily shaped dielectric media via the Born equation: an integral equation with a strongly singular convolution kernel that corresponds to a non-compact Green operator. By constructing a quadratic polynomial of the Green operator that cancels out the kernel singularity and satisfies the compactness criterion, we reveal the universality of a real resonance mode in dielectric optics. Meanwhile, exploiting the properties of

  3. Generic Schemes for Single-Molecule Kinetics. 3: Self-Consistent Pathway Solutions for Nonrenewal Processes.

    Science.gov (United States)

    Piephoff, D Evan; Cao, Jianshu

    2018-04-23

    We recently developed a pathway analysis framework (paper 1) for describing single-molecule kinetics for renewal (i.e., memoryless) processes based on the decomposition of a kinetic scheme into generic structures. In our approach, waiting time distribution functions corresponding to such structures are expressed in terms of self-consistent pathway solutions and concatenated to form measurable probability distribution functions (PDFs), affording a simple way to decompose and recombine a network. Here, we extend this framework to nonrenewal processes, which involve correlations between events, and employ it to formulate waiting time PDFs, including the first-passage time PDF, for a general kinetic network model. Our technique does not require the assumption of Poissonian kinetics, permitting a more general kinetic description than the usual rate approach, with minimal topological restrictiveness. To demonstrate the usefulness of this technique, we provide explicit calculations for our general model, which we adapt to two generic schemes for single-enzyme turnover with conformational interconversion. For each generic scheme, wherein the intermediate state(s) need not undergo Poissonian decay, the functional dependence of the mean first-passage time on the concentration of an external substrate is analyzed. When conformational detailed balance is satisfied, the enzyme turnover rate (related to the mean first-passage time) reduces to the celebrated Michaelis-Menten functional form, consistent with our previous work involving a similar scheme with all rate processes, thereby establishing further generality to this intriguing result. Our framework affords a general and intuitive approach for evaluating measurable waiting time PDFs and their moments, making it a potentially useful kinetic tool for a wide variety of single-molecule processes.

  4. Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

    Science.gov (United States)

    Tosun, Ismail

    2012-03-01

    The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  5. Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

    Directory of Open Access Journals (Sweden)

    İsmail Tosun

    2012-03-01

    Full Text Available The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R and four three-parameter (Redlich-Peterson (R-P, Sips, Toth and Khan isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2 of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°, enthalpy (∆H° and entropy (∆S° of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  6. Kinetics of Phenol Degradation in Aqueous Solution Oxidized under Low Frequency Ultrasonic Irradiation

    Directory of Open Access Journals (Sweden)

    Marwan Marwan

    2014-06-01

    Full Text Available Phenol is categorized as a refractory pollutant and its presence in water stream is strictly limited according to the government regulation. The present study investigated the degra-dation of phenol in aqueous solution by the effect of ultrasound. The process took place in a 500 ml glass reactor equipped with magnetic stirring and irradiated by low frequency (28 kHz ultrasound from a horn type probe. Ultrasonic irradiation was found to enhance oxidation rates at ambient conditions, compared to other approaches. Optimum conditions were observed at a stirring speed of 400 rpm and temperature of 30 C in acidic solution. It was revealed that the phenol degradation was the first order kinetics with respect to phenol. A low value of the activation energy 6.04 kcal/mol suggested that diffusional steps were rate determining during the phenol decomposition. It also confirmed that phenol was mostly degraded in the film region and less occurred in the bulk solution.

  7. Multiscale solutions of radiative heat transfer by the discrete unified gas kinetic scheme

    Science.gov (United States)

    Luo, Xiao-Ping; Wang, Cun-Hai; Zhang, Yong; Yi, Hong-Liang; Tan, He-Ping

    2018-06-01

    The radiative transfer equation (RTE) has two asymptotic regimes characterized by the optical thickness, namely, optically thin and optically thick regimes. In the optically thin regime, a ballistic or kinetic transport is dominant. In the optically thick regime, energy transport is totally dominated by multiple collisions between photons; that is, the photons propagate by means of diffusion. To obtain convergent solutions to the RTE, conventional numerical schemes have a strong dependence on the number of spatial grids, which leads to a serious computational inefficiency in the regime where the diffusion is predominant. In this work, a discrete unified gas kinetic scheme (DUGKS) is developed to predict radiative heat transfer in participating media. Numerical performances of the DUGKS are compared in detail with conventional methods through three cases including one-dimensional transient radiative heat transfer, two-dimensional steady radiative heat transfer, and three-dimensional multiscale radiative heat transfer. Due to the asymptotic preserving property, the present method with relatively coarse grids gives accurate and reliable numerical solutions for large, small, and in-between values of optical thickness, and, especially in the optically thick regime, the DUGKS demonstrates a pronounced computational efficiency advantage over the conventional numerical models. In addition, the DUGKS has a promising potential in the study of multiscale radiative heat transfer inside the participating medium with a transition from optically thin to optically thick regimes.

  8. Degradation kinetics of ptaquiloside in soil and soil solution.

    Science.gov (United States)

    Ovesen, Rikke Gleerup; Rasmussen, Lars Holm; Hansen, Hans Christian Bruun

    2008-02-01

    Ptaquiloside (PTA) is a carcinogenic norsesquiterpene glycoside produced in bracken (Pteridium aquilinum (L.) Kuhn), a widespread, aggressive weed. Transfer of PTA to soil and soil solution eventually may contaminate groundwater and surface water. Degradation rates of PTA were quantified in soil and soil solutions in sandy and clayey soils subjected to high natural PTA loads from bracken stands. Degradation kinetics in moist soil could be fitted with the sum of a fast and a slow first-order reaction; the fast reaction contributed 20 to 50% of the total degradation of PTA. The fast reaction was similar in all horizons, with the rate constant k(1F) ranging between 0.23 and 1.5/h. The slow degradation, with the rate constant k(1S) ranging between 0.00067 and 0.029/ h, was more than twice as fast in topsoils compared to subsoils, which is attributable to higher microbial activity in topsoils. Experiments with sterile controls confirmed that nonmicrobial degradation processes constituted more than 90% of the fast degradation and 50% of the slow degradation. The lower nonmicrobial degradation rate observed in the clayey compared with the sandy soil is attributed to a stabilizing effect of PTA by clay silicates. Ptaquiloside appeared to be stable in all soil solutions, in which no degradation was observed within a period of 28 d, in strong contrast to previous studies of hydrolysis rates in artificial aqueous electrolytes. The present study predicts that the risk of PTA leaching is controlled mainly by the residence time of pore water in soil, soil microbial activity, and content of organic matter and clay silicates.

  9. The kinetics of dye formation by pulse radiolysis of pararosaniline cyanide in aqueous or organic solution

    International Nuclear Information System (INIS)

    McLaughlin, W.L.; Holcman, J.; Sehested, K.; Kosanic, M.M.

    1979-11-01

    The radiation-induced conversion of the leucocyanide of pararosaniline dye to the highly colored salt-isomer of the dye in acidic aqueous solution (wavelength of maximum absorption lambda sub(max)=540 nm) or polar organic solution (lambda sub(max)=550 nm), takes place in two separate processes. The first is very fast (within 3 s -1 to 10 6 s -1 , as the acidity or concentration of an oxidizing agent increases. In oxygen-free acidic aqueous or organic solutions (argon saturated) there is an unstable transient species (lambdasub(max)=380 nm). When using O 2 or N 2 O-saturated aqueous or organic solution, there is no intermediate absorption band at 380 nm, but the slow process of dye formation at 540 or 550 nm is still sequential to the initial fast process having somewhat faster kinetics than in Ar-saturated solution. (author)

  10. Kinetics of neptunium (5) disproprotionation in nitric acid solution

    Energy Technology Data Exchange (ETDEWEB)

    Koltunov, V S; Tikhonov, M F

    1975-01-01

    The kinetics of Np(5) disproportionation in HNO/sub 3/+NaNO/sub 3/ solutions at the ionic strength ..mu..=4 is studied by spectrophotometric method in the region of (HNO/sub 3/) = 2.1-4 M at 61-96 deg C. To shift an equilibrium of reaction and to exclude the reverse reaction of Np(6) and Np(4), 0.02 M of hydrazine was added to the solution which rapidly reduced Np(6) to Np(5). Under these conditions no further reduction of Np(5) into Np(4) occurs directly with hydrazine. The disproportionation rate of NpO/sub 2//sup +/ ions obeys the equation: -d(Np(5))dt = 2k(Np(5))/sup 2/H/sup +2/, where k = 0.113 + 0.005M/sup -3/min/sup -1/ at 90 deg C and ..mu.. = 4. Temperature dependence of k enabled to compute the energy (E=16.4 kcal/mole), enthalpy (..delta..Hsup(*) = 15.8 kcal/mole) free energy (..delta..Fsup(*) = 24.0 kcal/mole) and entropy (..delta..S=-27 eu) of the reaction activation. The reaction mechanism includes a slow step of charge transfer between two protonated NpO/sub 2/H/sup 2 +/ ions. The data obtaned are compared to the results of Np(5) diproportionation in HClO/sub 4/ medium.

  11. Kinetic assembly of block copolymers in solution helical cylindrical micelles and patchy nanoparticles

    Science.gov (United States)

    Zhong, Sheng

    There is always an interest to understand how molecules behave under different conditions. One application of this knowledge is to self-assemble molecules into increasingly complex structures in a simple fashion. Self-assembly of amphiphilic block copolymer in solution has produced a large variety of nanostructures through the manipulation in polymer chemistry, assembly environment, and additives. Moreover, some reports suggest the formation of many polymeric assemblies is driven by kinetic process. The goal of this dissertation is to study the influence of kinetics on the assembly of block copolymer. The study shows kinetic control can be a very effective way to make novel polymeric nanostructures. Two examples discussed here are helical cylindrical micelles and patchy nanoparticles. Helical cylindrical micelles are made from the co-assembly of amphiphilic triblock copolymer poly(acrylic acid)-block-poly(methyl acrylate)- block-polystyrene and organoamine molecules in a mixture of tetrahydrofuran (THF) and water (H2O). This system has already shown promise of achieving many assembled structures. The unique aspects about this system are the use of amine molecules to complex with acid groups and the existence of cosolvent system. Application of amine molecules offers a convenient control over assembled morphology and the introduction of PMA-PS selective solvent, THF, promotes the mobility of the polymer chains. In this study, multivalent organoamine molecules, such as diethylenetriamine and triethylenetetramine, are used to interact with block copolymer in THF/water mixture. As expected, the assembled morphologies are dependent on the polymer architecture, selection and quantity of the organoamine molecules, and solution composition. Under the right conditions, unprecedented, multimicrometer-long, supramolecular helical cylindrical micelles are formed. Both single-stranded and double-stranded helices are found in the same system. These helical structures share

  12. Solution of non-steady-state substrate concentration in the action of biosensor response at mixed enzyme kinetics

    Science.gov (United States)

    Senthamarai, R.; Jana Ranjani, R.

    2018-04-01

    In this paper, a mathematical model of an amperometric biosensor at mixed enzyme kinetics and diffusion limitation in the case of substrate inhibition has been developed. The model is based on time dependent reaction diffusion equation containing a non -linear term related to non -Michaelis - Menten kinetics of the enzymatic reaction. Solution for the concentration of the substrate has been derived for all values of parameters using the homotopy perturbation method. All the approximate analytic expressions of substrate concentration are compared with simulation results using Scilab/Matlab program. Finally, we have given a satisfactory agreement between them.

  13. Kinetics of the exchange of oxygen between carbon dioxide and carbonate in aqueous solution

    International Nuclear Information System (INIS)

    Tu, C.K.; Silverman, D.N.

    1975-01-01

    A kinetic analysis of the exchange of oxygen between carbon dioxide and carbonate ion in alkaline, aqueous solutions is presented. The exchange was observed by placing 18 O-labeled carbonate, not enriched in 13 C, into solution with 13 C-enriched carbonate, not enriched in 18 O. The rate of depletion of 18 O from the 12 C-containing species and the rate of appearance of 18 O in the 13 C-containing species was measured by mass spectrometry. From these data, the second-order rate constant for the reaction between carbon dioxide and carbonate which results in the exchange of oxygen at 25 0 is 114 +- 11 M -1 sec -1 . It is emphasized that this exchange of oxygen between species of CO 2 in solution must be recognized in studies using 18 O labels to determine the fate of CO 2 in biochemical and physiological processes. (auth)

  14. Kinetic and Thermodynamic Studies on Biosorption of Direct Red 81 from Aqueous Solutions by Chamomilla Plant

    Directory of Open Access Journals (Sweden)

    M. Momen Heravi

    2013-01-01

    Full Text Available In this study, Chamomilla plant biomass used as a sorbent for biosorption of a textile dye, direct red 81, from an aqueous solution. The batch sorption was studied with respect to dye concentration, adsorbent dose and temperature. Also, kinetic and isotherm parameters were determined for biosorption of Direct red 81 by Chamomilla plant. The maximum biosorption capacity (qm of Direct red 81 10 mg g-1 was obtained at 25oC. The kinetic and isotherm studies indicated that the biosorption process obeys a pseudo-second order and Langmuir isotherm models. In addition, various thermodynamic parameters, such as changes in Gibbs free energy (ΔG, enthalpy (ΔH and entropy (ΔS have been calculated. The biosorption process of Direct Red 81 dye onto activated carbon prepared from Chamomilla plant was found to be spontaneous and exothermic. The findings of this investigation suggest that this procces is a physical biosorption. The experimental studies indicated that Chamomilla plant had the potential to act as an alternative biosorbent to remove the Direct Red 81 dye from an aqueous solution.

  15. Degradation kinetics of ptaquiloside in soil and soil solution

    DEFF Research Database (Denmark)

    Ovesen, Rikke Gleerup; Rasmussen, Lars Holm; Hansen, Hans Christian Bruun

    2008-01-01

    and soil solutions in sandy and clayey soils subjected to high natural PTA loads from bracken stands. Degradation kinetics in moist soil could be fitted with the sum of a fast and a slow first-order reaction; the fast reaction contributed 20 to 50% of the total degradation of PTA. The fast reaction...... was similar in all horizons, with the rate constant k1F ranging between 0.23 and 1.5/h. The slow degradation, with the rate constant k1S ranging between 0.00067 and 0.029/h, was more than twice as fast in topsoils compared to subsoils, which is attributable to higher microbial activity in topsoils....... Experiments with sterile controls confirmed that nonmicrobial degradation processes constituted more than 90% of the fast degradation and 50% of the slow degradation. The lower nonmicrobial degradation rate observed in the clayey compared with the sandy soil is attributed to a stabilizing effect of PTA...

  16. Precipitation kinetics and mechanical behavior in a solution treated and aged dual phase stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Badji, R., E-mail: riadbadji1@yahoo.fr [Welding and NDT Research Centre (CSC), B.P. 64, Cheraga (Algeria); Kherrouba, N.; Mehdi, B.; Cheniti, B. [Welding and NDT Research Centre (CSC), B.P. 64, Cheraga (Algeria); Bouabdallah, M. [LGSDS – ENP, 10, Avenue Hassan Badi, 16200 El Harrah, Alger (Algeria); Kahloun, C.; Bacroix, B. [LSPM – CNRS, Université Paris 13, 93430 Villetaneuse (France)

    2014-12-15

    The precipitation kinetics and the mechanical behavior in a solution treated and aged dual phase stainless steel (DSS) are investigated. X-ray diffraction, transmission and scanning electron microscopy techniques are used to characterize the microstructure and to identify its constituents. The precipitation kinetics analysis shows that the ferrite to σ phase transformation follows the modified Johnson Mehl Avrami (JMA) model containing an impingement parameter c that is adjusted to 0.3. Activation energies calculation leads to conclude that interface reaction is the main mechanism that controls the σ phase formation. Detailed analysis of the extent of the different tensile deformation domains reveals the significant contribution of both σ phase particles and dislocation accumulation to the strain hardening of the material. - Highlights: • The precipitation kinetics of the σ phase is affected by both soft and hard impingement phenomena. • Interface reaction is found to be the main mechanism that controls the ferrite to σ phase transformation. • Both σ phase particles and dislocation accumulation contribute to the strain hardening of the dual phase steel studied.

  17. Kinetics of solute leachate from imbibing Caesalpinia echinata Lam. (Brazilwood seeds

    Directory of Open Access Journals (Sweden)

    Nestor Martini Neto

    2014-02-01

    Full Text Available The electrical conductivity of leachates from imbibing seeds has been used as a vigor test for several species. The adaptation of this methodology to different species requires knowledge on the leaching kinetics of electrolytes. For Brazilwood seeds, the classic method was not satisfactory and rapid tests are essential because they have low storage capacity at room temperature. Leaching kinetics during seed imbibition is a function of physiological quality, presence or absence of seed coat, imbibing temperature and the initial moisture content of seed. In this study, the electrolyte leaching rate of six different categories of seeds, from two regions, was evaluated in seeds with and without seed coat and incubated with different moisture contents and at different temperatures. The results showed that the electrolyte leaching rate in Brazilwood seeds is independent of the physiological quality, the presence or absence of seed coat and imbibition temperature, but these factors changed the total amount of electrolytes leached. The leaching rate increased in the first few minutes of imbibition, suggesting that the adjustment of the methodology must consider the reduction in imbibition time, reduction in temperature, use of a controlled and slower pre-imbibition, and replacement of the imbibition solution after the first few minutes.

  18. Kinetic Study of COS with Tertiary Alkanolamine Solutions. 2. Modeling and Experiments in a Stirred Cell Reactor

    NARCIS (Netherlands)

    Littel, Rob J.; Versteeg, Geert F.; Swaaij, Wim P.M. van

    1992-01-01

    Absorption experiments of COS into aqueous solutions of MDEA and DEMEA at 303 K have been carried out in a stirred cell reactor. An absorption model, based on Higbie’s penetration theory, has been developed and applied to interpret the absorption experiments, using the kinetic data obtained in part

  19. Kinetics of reaction between O 2 and Mn(II) species in aqueous solutions

    Science.gov (United States)

    Morgan, James J.

    2005-01-01

    The objective of this research is to assess critically the experimental rate data for O 2 oxidation of dissolved Mn(II) species at 25°C and to interpret the rates in terms of the solution species of Mn(II) in natural waters. A species kinetic rate expression for parallel paths expresses the total rate of Mn(II) oxidation as Σk i a ij, where k i is the rate constant of species i and a ij is the species concentration fraction in solution j. Among the species considered in the rate expression are Mn(II) hydrolysis products, carbonate complexes, ammonia complexes, and halide and sulfate complexes, in addition to the free aqueous ion. Experiments in three different laboratory buffers and in seawater yield an apparent rate constant for Mn(II) disappearance, k app,j ranging from 8.6 × 10 -5 to 2.5 × 10 -2 (M -1s -1), between pH 8.03 and 9.30, respectively. Observed values of k app exceed predictions based on Marcus outer-sphere electron transfer theory by more than four orders of magnitude, lending strong support to the proposal that Mn(II) + O 2 electron transfer follows an inner-sphere path. A multiple linear regression analysis fit of the observed rates to the species kinetic rate expression yields the following oxidation rate constants (M -1s -1) for the most reactive species: MnOH +, 1.66 × 10 -2; Mn(OH) 2, 2.09 × 10 1; and Mn(CO 3) 22-, 8.13 × 10 -2. The species kinetic rate expression accounts for the influence of pH and carbonate on oxidation rates of Mn(II), through complex formation and acid-base equilibria of both reactive and unreactive species. At pH ˜8, the greater fraction of the total rate is carried by MnOH +. At pH greater than ˜8.4, the species Mn(OH) 2 and Mn(CO 3) 22- make the greater contributions to the total rate.

  20. Solution of the two-dimensional space-time reactor kinetics equation by a locally one-dimensional method

    International Nuclear Information System (INIS)

    Chen, G.S.; Christenson, J.M.

    1985-01-01

    In this paper, the authors present some initial results from an investigation of the application of a locally one-dimensional (LOD) finite difference method to the solution of the two-dimensional, two-group reactor kinetics equations. Although the LOD method is relatively well known, it apparently has not been previously applied to the space-time kinetics equations. In this investigation, the LOD results were benchmarked against similar computational results (using the same computing environment, the same programming structure, and the same sample problems) obtained by the TWIGL program. For all of the problems considered, the LOD method provided accurate results in one-half to one-eight of the time required by the TWIGL program

  1. The influence of temperature on the decomposition kinetics of peracetic acid in solutions

    OpenAIRE

    Kunigk, L.; Gomes, D.R.; Forte, F.; Vidal, K.P.; Gomes, L.F.; Sousa, P.F.

    2001-01-01

    Peracetic acid is a powerful sanitizer that has only recently been introduced in the Brazilian food industry. The main disadvantage of this sanitizer is its decomposition rate. The main purpose of this paper is to present results obtained in experiments carried out to study the decomposition kinetics of peracetic acid in aqueous solutions at 25, 35, 40 and 45 °C. The decompositon of peracetic acid is a first-order reaction. The decomposition rate constants are between 1.71x10-3 h -1 for 25 °C...

  2. Preformulation study of methazolamide for topical ophthalmic delivery: physicochemical properties and degradation kinetics in aqueous solutions.

    Science.gov (United States)

    Jiang, Sunmin; Wang, Fengzhen; Zhu, Shuning; Zhang, Xiumei; Guo, Zhigang; Li, Rui; Xu, Qunwei

    2013-05-20

    Methazolamide (MTZ) is an anti-glaucoma drug. The present paper aims to characterize the physicochemical properties and degradation kinetics of MTZ to provide a basis for topical ophthalmic delivery. With the increase in pH (pH 5.5-8.0) of aqueous solution, the solubility of the compound increased while the partition coefficient (Ko/w) which was estimated in the system n-octanol/aqueous solution decreased. The degradation of MTZ in aqueous solution followed pseudo-first-order kinetic. The degradation rate kpH is the rate in the absence of buffer catalysis. Plotting the natural logarithm of kpH versus the corresponding pH value gave a V-shaped pH-rate profile with a maximum stability at pH 5.0. The degradation rate constants as a function of the temperature obeyed the Arrhenius equation (R(2)=0.9995 at pH 7.0 and R(2)=0.9955 at pH 9.0, respectively). A decrease in ionic strength and buffer concentration displayed a stabilizing effect on MTZ. Buffer species also influenced the MTZ hydrolysis. Phosphate buffer system was more catalytic than tris and borate buffer systems. In brief, it is important to consider the physicochemical properties and the stability of MTZ during formulation. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Removal of phenol from aqueous solutions by adsorption onto organomodified Tirebolu bentonite: Equilibrium, kinetic and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Senturk, Hasan Basri; Ozdes, Duygu; Gundogdu, Ali; Duran, Celal [Department of Chemistry, Karadeniz Technical University, Faculty of Arts and Sciences, 61080 Trabzon (Turkey); Soylak, Mustafa, E-mail: soylak@erciyes.edu.tr [Department of Chemistry, Erciyes University, Faculty of Arts and Sciences, 38039 Kayseri (Turkey)

    2009-12-15

    A natural bentonite modified with a cationic surfactant, cetyl trimethylammonium bromide (CTAB), was used as an adsorbent for removal of phenol from aqueous solutions. The natural and modified bentonites (organobentonite) were characterized with some instrumental techniques (FTIR, XRD and SEM). Adsorption studies were performed in a batch system, and the effects of various experimental parameters such as solution pH, contact time, initial phenol concentration, organobentonite concentration, and temperature, etc. were evaluated upon the phenol adsorption onto organobentonite. Maximum phenol removal was observed at pH 9.0. Equilibrium was attained after contact of 1 h only. The adsorption isotherms were described by Langmuir and Freundlich isotherm models, and both model fitted well. The monolayer adsorption capacity of organobentonite was found to be 333 mg g{sup -1}. Desorption of phenol from the loaded adsorbent was achieved by using 20% acetone solution. The kinetic studies indicated that the adsorption process was best described by the pseudo-second-order kinetics (R{sup 2} > 0.99). Thermodynamic parameters including the Gibbs free energy ({Delta}G{sup o}), enthalpy ({Delta}H{sup o}), and entropy ({Delta}S{sup o}) were also calculated. These parameters indicated that adsorption of phenol onto organobentonite was feasible, spontaneous and exothermic in the temperature range of 0-40 {sup o}C.

  4. Removal of phenol from aqueous solutions by adsorption onto organomodified Tirebolu bentonite: Equilibrium, kinetic and thermodynamic study

    International Nuclear Information System (INIS)

    Senturk, Hasan Basri; Ozdes, Duygu; Gundogdu, Ali; Duran, Celal; Soylak, Mustafa

    2009-01-01

    A natural bentonite modified with a cationic surfactant, cetyl trimethylammonium bromide (CTAB), was used as an adsorbent for removal of phenol from aqueous solutions. The natural and modified bentonites (organobentonite) were characterized with some instrumental techniques (FTIR, XRD and SEM). Adsorption studies were performed in a batch system, and the effects of various experimental parameters such as solution pH, contact time, initial phenol concentration, organobentonite concentration, and temperature, etc. were evaluated upon the phenol adsorption onto organobentonite. Maximum phenol removal was observed at pH 9.0. Equilibrium was attained after contact of 1 h only. The adsorption isotherms were described by Langmuir and Freundlich isotherm models, and both model fitted well. The monolayer adsorption capacity of organobentonite was found to be 333 mg g -1 . Desorption of phenol from the loaded adsorbent was achieved by using 20% acetone solution. The kinetic studies indicated that the adsorption process was best described by the pseudo-second-order kinetics (R 2 > 0.99). Thermodynamic parameters including the Gibbs free energy (ΔG o ), enthalpy (ΔH o ), and entropy (ΔS o ) were also calculated. These parameters indicated that adsorption of phenol onto organobentonite was feasible, spontaneous and exothermic in the temperature range of 0-40 o C.

  5. Kinetics and thermodynamics of the dissolution of Th1-xMxO2 solid solutions (M = U, Pu)

    International Nuclear Information System (INIS)

    Hubert, S.; Heisbourg, G.; Dacheux, N.; Moisy, Ph.; Purans, J.

    2004-01-01

    Kinetics of the dissolution of Th 1-x M x O 2 (M = U, Pu) solid solutions was investigated as a function of several chemical parameters such as pH, substitution ratio, temperature, ionic strength, and electrolyte. Several compositions of Th 1-x U x O 2 and Th 1-x Pu x O 2 were synthesized and characterized before and after leaching by using several methods such as XRD, EXAFS, BET, PIXE, SEM, and XPS. Leaching tests were performed in nitric, hydrochloric or sulfuric media and groundwater. The normalized dissolution rates were evaluated for Th 1-x U x O 2 , and Th 0.88 Pu 0.12 O 2 leading to the determination of the partial order related to the proton concentration, n, and to the corresponding normalized dissolution rate constant at pH = 0, k'T. While for Th enriched solids, the solid solutions Th 1-x U x O 2 have the same dissolution behaviour than ThO 2 with a partial order n ∼ 0.3, in the case of uranium enriched solids, Th 1-x U x O 2 has the same dissolution behaviour than UO 2 with a partial order of n = 1, indicating that uranium oxidation rate becomes the limiting step of the dissolution process. The stoichiometry of the release of both actinides (U or Pu, Th) was verified until the precipitation of thorium occurred in the leachate for pH > 2, while uranium was released in the solution as an uranyl form. For uranium enriched solid solutions, thermodynamic equilibrium was reached after 100 days, and solubility constant of secondary phase was determined. In the case of Th 1-x Pu x O 2 , the dissolution behaviour is similar to that of ThO 2 , but only kinetic aspect of the dissolution can be studied. From the analysis of XPS and EXAFS data on leached and un-leached Th 1-x U x O 2 samples, the dissolution mechanism of solid solutions was explained and will be discussed. The role of the electrolytes on the dissolution of the solid solutions is discussed. Kinetics parameters of dissolution are also given in groundwater and in neutral media

  6. Removal of Cadmium and Lead from Aqueous Solution by Hydroxyapatite/Chitosan Hybrid Fibrous Sorbent: Kinetics and Equilibrium Studies

    Directory of Open Access Journals (Sweden)

    Soyeon Park

    2015-01-01

    Full Text Available Hydroxyapatite (HAp/chitosan composites were prepared by a coprecipitation method, dropping a mixture of chitosan solution and phosphoric acid solution into a calcium hydroxide solution. Using the HAp/chitosan composites prepared, HAp/chitosan hybrid fibers with various HAp contents were prepared by a wet spinning method. X-ray diffraction and scanning electron microscopy analyses revealed that HAp particles were coated onto the surface of the fiber, and the surface roughness increased with increasing the HAp contents in the fiber. In order to evaluate the heavy metal removal characteristics of the HAp/chitosan hybrid fiber, adsorption tests were conducted and the results were compared with those of bare chitosan fibers. The results showed better performance in heavy metal ion removal for the HAp/chitosan hybrid fiber than the chitosan fiber. As the HAp content in the hybrid fiber increased, the removal efficiency of heavy metal ions also increased due to the increase of the specific surface area of the HAp/chitosan hybrid fiber. Adsorption kinetic and isotherm tests revealed that Pb2+ and Cd2+ adsorption to the hybrid fiber follows pseudo-second-order kinetic and Langmuir-type adsorption, respectively.

  7. 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)

  8. Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation

    Science.gov (United States)

    Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui

    2014-01-01

    Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904

  9. Solution for the multigroup neutron space kinetics equations by the modified Picard algorithm

    International Nuclear Information System (INIS)

    Tavares, Matheus G.; Petersen, Claudio Z.; Schramm, Marcelo; Zanette, Rodrigo

    2017-01-01

    In this work, we used a modified Picards method to solve the Multigroup Neutron Space Kinetics Equations (MNSKE) in Cartesian geometry. The method consists in assuming an initial guess for the neutron flux and using it to calculate a fictitious source term in the MNSKE. A new source term is calculated applying its solution, and so on, iteratively, until a stop criterion is satisfied. For the solution of the fast and thermal neutron fluxes equations, the Laplace Transform technique is used in time variable resulting in a rst order linear differential matrix equation, which are solved by classical methods in the literature. After each iteration, the scalar neutron flux and the delayed neutron precursors are reconstructed by polynomial interpolation. We obtain the fluxes and precursors through Numerical Inverse Laplace Transform using the Stehfest method. We present numerical simulations and comparisons with available results in literature. (author)

  10. Solution for the multigroup neutron space kinetics equations by the modified Picard algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Tavares, Matheus G.; Petersen, Claudio Z., E-mail: matheus.gulartetavares@gmail.com [Universidade Federal de Pelotas (UFPEL), Capao do Leao, RS (Brazil). Departamento de Matematica e Estatistica; Schramm, Marcelo, E-mail: schrammmarcelo@gmail.com [Universidade Federal de Pelotas (UFPEL), RS (Brazil). Centro de Engenharias; Zanette, Rodrigo, E-mail: rodrigozanette@hotmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Instituto de Matematica e Estatistica

    2017-07-01

    In this work, we used a modified Picards method to solve the Multigroup Neutron Space Kinetics Equations (MNSKE) in Cartesian geometry. The method consists in assuming an initial guess for the neutron flux and using it to calculate a fictitious source term in the MNSKE. A new source term is calculated applying its solution, and so on, iteratively, until a stop criterion is satisfied. For the solution of the fast and thermal neutron fluxes equations, the Laplace Transform technique is used in time variable resulting in a rst order linear differential matrix equation, which are solved by classical methods in the literature. After each iteration, the scalar neutron flux and the delayed neutron precursors are reconstructed by polynomial interpolation. We obtain the fluxes and precursors through Numerical Inverse Laplace Transform using the Stehfest method. We present numerical simulations and comparisons with available results in literature. (author)

  11. The influence of temperature on the decomposition kinetics of peracetic acid in solutions

    Directory of Open Access Journals (Sweden)

    Kunigk L.

    2001-01-01

    Full Text Available Peracetic acid is a powerful sanitizer that has only recently been introduced in the Brazilian food industry. The main disadvantage of this sanitizer is its decomposition rate. The main purpose of this paper is to present results obtained in experiments carried out to study the decomposition kinetics of peracetic acid in aqueous solutions at 25, 35, 40 and 45 °C. The decompositon of peracetic acid is a first-order reaction. The decomposition rate constants are between 1.71x10-3 h -1 for 25 °C and 9.64x10-3 h-1 for 45 °C. The decomposition rate constant is affected by temperature according to the Arrhenius equation, and the activation energy for the decomposition of peracetic acid in aqueous solutions prepared from the commercial formulation used in this work is 66.20 kJ/mol.

  12. Kinetics of the decomposition and the estimation of the stability of 10% aqueous and non-aqueous hydrogen peroxide solutions

    Directory of Open Access Journals (Sweden)

    Zun Maria

    2014-12-01

    Full Text Available In this study, the stability of 10% hydrogen peroxide aqueous and non-aqueous solutions with the addition of 6% (w/w of urea was evaluated. The solutions were stored at 20°C, 30°C and 40°C, and the decomposition of hydrogen peroxide proceeded according to first-order kinetics. With the addition of the urea in the solutions, the decomposition rate constant increased and the activation energy decreased. The temperature of storage also affected the decomposition of substance, however, 10% hydrogen peroxide solutions prepared in PEG-300, and stabilized with the addition of 6% (w/w of urea had the best constancy.

  13. HF effect on dissociation kinetics of plutonium and neptunium complexes with 1,2-diaminocyclohexanetetraacetic acid in nitric acid solutions

    International Nuclear Information System (INIS)

    Nikitina, S.A.; Stepanov, A.V.

    1982-01-01

    Dissociation kinetics of Pusup((4)) and Np sup((4)) complexes with DCTA were investigated in HNO 3 solutions in the presence of HF and arsenazo 3. It was found that HF or NaF produced a differentiating effect on the reactivity of the complexes at [HNO 3 ]=1-6 mol/l as well as inhibiting effect at [HNO 3 ]=0.01 mol/l. Conditions of the differential kinetic analysis of plutonium and neptunium in the mixture and differential spectrophotometric analysis of uranium (6) during the camouflage of neptunium (4) and plutonium (4) were determined

  14. Transformation kinetics for nucleus clusters

    International Nuclear Information System (INIS)

    Villa, Elena; Rios, Paulo R.

    2009-01-01

    A rigorous mathematical approach based on stochastic geometry concepts is presented to extend previous Johnson-Mehl, Avrami, Kolmogorov treatment of transformation kinetics to situations in which nuclei are not homogeneously located in space but are located in clusters. An exact analytical solution is presented here for the first time assuming that nucleation sites follow a Matern cluster process. The influence of Matern cluster process parameters on subsequent growth kinetics and the microstructural path are illustrated by means of numerical examples. Moreover, using the superposition principle, exact analytical solutions are also obtained when nucleation takes place by a combination of a Matern cluster process and an inhomogeneous Poisson point process. The new solutions presented here significantly increase the number of exactly solvable cases available to formal kinetics.

  15. Kinetics and mechanism of oxidation of 1-hydroxymethyl-eta/sup 3/-allypalladium chloride by p-benzoquinone in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Belov, A.P.; Kalabin, S.M.; Statsenko, O.N.

    1988-03-01

    /sup 1/H NMR spectroscopy was used to show that the primary product of the oxidation of the eta/sup 3/-allyl complex of palladium, (based on 1,3-butadiene-1-hydroxymethyl-eta/sup 3/-allylpalladium chloride), by the action of p-benzoquinone in acid aqueous solutions is 4-chloro-2-buten-1-o1. The reaction kinetics were studied colorimetrically. It was found that the rate of reaction is described by a kinetic equation of the second order (first with respect to each of the reagents). It was shown that the second order rate constant increases nonlinearly with increase in the concentration of the chloride ions and hydrogen ions, and tends to a constant value in the region of high concentrations of these ions. The values of the activation parameters and the isotopic kinetic effect were determined. The kinetic equation and the mechanism of the reaction studied were compared with those of the oxidation processes of unsubstituted eta/sup 3/-allyl complexes of palladium.

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

    Directory of Open Access Journals (Sweden)

    S. Senthilkumaar

    2010-01-01

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

  17. Analytical solution of spatial kinetics of the diffusion model for subcritical homogeneous systems driven by external source

    International Nuclear Information System (INIS)

    Oliveira, Fernando Luiz de

    2008-01-01

    This work describes an analytical solution obtained by the expansion method for the spatial kinetics using the diffusion model with delayed emission for source transients in homogeneous media. In particular, starting from simple models, and increasing the complexity, numerical results were obtained for different types of source transients. An analytical solution of the one group without precursors was solved, followed by considering one precursors family. The general case of G-groups with R families of precursor although having a closed form solution, cannot be solved analytically, since there are no explicit formulae for the eigenvalues, and numerical methods must be used to solve such problem. To illustrate the general solution, the multi-group (three groups) time-dependent problem without precursors was solved and the numerical results of a finite difference code were compared with the exact results for different transients. (author)

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

    Science.gov (United States)

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

    2015-01-01

    The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) were calculated for the adsorption of congo red, indicating an exothermic process. PMID:28793430

  19. Adsorptive removal of phenol from aqueous solutions on activated carbon prepared from tobacco residues: Equilibrium, kinetics and thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Kilic, Murat; Apaydin-Varol, Esin [Department of Chemical Engineering, Anadolu University, Eskisehir 26470 (Turkey); Puetuen, Ayse E., E-mail: aeputun@anadolu.edu.tr [Department of Chemical Engineering, Anadolu University, Eskisehir 26470 (Turkey)

    2011-05-15

    This study consists of producing high surface area activated carbon from tobacco residues by chemical activation and its behavior of phenol removal from aqueous solutions. K{sub 2}CO{sub 3} and KOH were used as chemical activation agents and three impregnation ratios (50, 75 and 100 wt.%) were applied on biomass. Maximum BET surface areas of activated carbons were obtained from impregnation with 75 wt.% of K{sub 2}CO{sub 3} and 75 wt.% of KOH as 1635 and 1474 m{sup 2}/g, respectively. Optimum adsorption conditions were determined as a function of pH, adsorbent dosage, initial phenol concentration, contact time and temperature of solution for phenol removal. To describe the equilibrium isotherms the experimental data were analyzed by the Langmuir, Freundlich, Dubinin-Radushkevich (D-R) and Temkin isotherm models. Pseudo-first order, pseudo-second order and intraparticle diffusion kinetic models were used to find out the kinetic parameters and mechanism of adsorption process. The thermodynamic parameters such as {Delta}G{sup o}, {Delta}H{sup o} and {Delta}S{sup o} were calculated for predicting the nature of adsorption. According to the experimental results, activated carbon prepared from tobacco residue seems to be an effective, low-cost and alternative adsorbent precursor for the removal of phenol from aqueous solutions.

  20. Kinetic competitivity between ordering and solute segregation to dislocations in Cu-20% at. Mn

    International Nuclear Information System (INIS)

    Donoso, E.; Varschavsky, A.

    1997-01-01

    By using differential scanning calorimetry (DSC) energetic measurements associated with the different peaks displayed during linear heating of Cu-20% at. Mn were made, employing quenched and cold-worked materials. Unique to the situation observed in the quenched alloy in which disperse order is developed, in the deformed alloy such process is inhibited by the segregation of solute atoms to partial dislocations. An appropriate model for calculation the energy evolved during the pinning process was applied in order to determine the dislocation density from the exothermic peak designated as stage 4. The computed value, which is in excellent agreement with the one obtained from expressions governing the energy release accompanying recrystallization allows to verify together with microhardness measurements and kinetic analysis that the first observed thermal effect in the deformed materials effectively corresponds a solute segregation process. (Author) 35 refs

  1. Sorption of malachite green from aqueous solution by potato peel: Kinetics and equilibrium modeling using non-linear analysis method

    Directory of Open Access Journals (Sweden)

    El-Khamsa Guechi

    2016-09-01

    Full Text Available Potato peel (PP was used as a biosorbent to remove malachite green (MG from aqueous solution under various operating conditions. The effect of the experimental parameters such as initial dye concentration, biosorbent dose, initial pH, stirring speed, temperature, ionic strength and biosorbent particle size was investigated through a number of batch sorption experiments. The sorption kinetic uptake for MG by PP at various initial dye concentrations was analyzed by non-linear method using pseudo-first, pseudo-second and pseudo-nth order models. It was found that the pseudo-nth order kinetic model was the best applicable model to describe the sorption kinetic data and the order n of sorption reaction was calculated in the range from 0.71 to 2.71. Three sorption isotherms namely the Langmuir, Freundlich and Redlich–Peterson isotherms in their non-linear forms were applied to the biosorption equilibrium data. Both the Langmuir and Redlich–Peterson models were found to fit the sorption isotherm data well, but the Redlich–Peterson model was better. Thermodynamic parameters show that the sorption process of MG is endothermic and more effective process at high temperatures. The results revealed that PP is very effective for the biosorption of MG from aqueous solutions.

  2. Specific features of kinetics of He/sup 3/-He/sup 4/ solid solution transformations at superlow temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Mikheev, V A; Majdanov, V A; Mikhin, N P

    1986-06-01

    The NMR data on the phase transition kinetics of /sup 3/He-/sup 4/He solid solutions at T=100 mK are considered. Studied are solid helium samples of a molecular volume of 20.55 cm/sup 2//mol with a /sup 3/He content of 0.54%. An unusually long phase transition time is found which is dependent on the prehistory of sample. The spin diffusion of /sup 3/He in the transformated solution concentrated phase is found to be of a quasi-one-dimensional nature with the diffusion coefficient value typical of liquid.

  3. A Database Integrity Pattern Language

    Directory of Open Access Journals (Sweden)

    Octavian Paul ROTARU

    2004-08-01

    Full Text Available Patterns and Pattern Languages are ways to capture experience and make it re-usable for others, and describe best practices and good designs. Patterns are solutions to recurrent problems.This paper addresses the database integrity problems from a pattern perspective. Even if the number of vendors of database management systems is quite high, the number of available solutions to integrity problems is limited. They all learned from the past experience applying the same solutions over and over again.The solutions to avoid integrity threats applied to in database management systems (DBMS can be formalized as a pattern language. Constraints, transactions, locks, etc, are recurrent integrity solutions to integrity threats and therefore they should be treated accordingly, as patterns.

  4. Batch kinetics, isotherm and thermodynamic studies of adsorption of strontium from aqueous solutions onto low cost rice-straw based carbons.

    Directory of Open Access Journals (Sweden)

    S. M. Yakout

    2010-09-01

    Full Text Available Present study explored the feasibility of using waste rice-straw based carbons as adsorbent for the removal of strontium under different experimental conditions. The batch sorption is studied with respect to solute concentration (2.8 - 110 mg/L, contact time, adsorbent dose (2.5 - 20 g/L and solution temperature (25 - 55oC. The Langmuir and Dubinin-Radushkevich adsorption models were applied to experimental equilibrium data and isotherm constants were calculated using linear regression analysis. A comparison of kinetic models applied to the adsorption of strontium on rice-straw carbon was evaluated for the pseudo-second-order, Elovich, intraparticle diffusion and Bangham’s kinetics models. The experimental data fitted very well the pseudosecond-order kinetic model and also followed by intra-particle diffusion model, whereas diffusion is not only the rate-controlling step. The results show that the sorption capacity increases with an increase in solution temperature from 25 to 55 oC. The thermodynamics parameters were evaluated. The positive value of ΔH (40.93 kJ indicated that the adsorption of strontium onto RS1 carbon was endothermic, which result was supported by the increasing adsorption of strontium with temperature. The positive value of ΔS (121.8 kJ/mol reflects good affinity of strontium ions towards the rice-straw based carbons. The results have establishedgood potentiality for the carbons particles to be used as a sorbent for the removal of strontium from wastewater.

  5. Uranium (VI) complexing by macrocyclic or chelating ligands in aqueous solutions stability, formation kinetics, polarographic properties

    International Nuclear Information System (INIS)

    Brighli, M.

    1984-07-01

    Stability of chelates (with EDTA,N,N ethylenediamine diacetic acid EDDA nitrilotriacetic acid NTA and iminodiacetic acid) of UO 2 2+ and UO 4 species of uranium VI is studied in aqueous solution (NaClO 4 3M at 25 deg celcius). Structure in solution are proposed and discussed for mononuclear species. Only complexing kinetics (formation and acid hydrolysis) of UO 4 with EDDA and NTA are studied by spectrophotometry (other reactions are too fast). Besides UO 2 2+ complexes are formed with crown ethers I5C5 and I8C6 in aqueous solution (TEA ClO 4 M/10 at 25 deg celcius. Complexes are probably stabilized by solvation. Results are confirmed by voltametry and reduction mechanisms of UO 2 2+ and its complexes on mercury drop are proposed. 143 refs [fr

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

    Directory of Open Access Journals (Sweden)

    M. Calero

    2009-06-01

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

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

    Science.gov (United States)

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

    2011-10-18

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

  8. Aluminum corrosion product release kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, Matt, E-mail: Matthew.Edwards@cnl.ca; Semmler, Jaleh; Guzonas, Dave; Chen, Hui Qun; Toor, Arshad; Hoendermis, Seanna

    2015-07-15

    Highlights: • Release of Al corrosion product was measured in simulated post-LOCA sump solutions. • Increased boron was found to enhance Al release kinetics at similar pH. • Models of Al release as functions of time, temperature, and pH were developed. - Abstract: The kinetics of aluminum corrosion product release was examined in solutions representative of post-LOCA sump water for both pressurized water and pressurized heavy-water reactors. Coupons of AA 6061 T6 were exposed to solutions in the pH 7–11 range at 40, 60, 90 and 130 °C. Solution samples were analyzed by inductively coupled plasma atomic emission spectroscopy, and coupon samples were analyzed by secondary ion mass spectrometry. The results show a distinct “boron effect” on the release kinetics, expected to be caused by an increase in the solubility of the aluminum corrosion products. New models were developed to describe both sets of data as functions of temperature, time, and pH (where applicable)

  9. Salt effects on the air/solution interfacial properties of PEO-containing copolymers: equilibrium, adsorption kinetics and surface rheological behavior.

    Science.gov (United States)

    Llamas, Sara; Mendoza, Alma J; Guzmán, Eduardo; Ortega, Francisco; Rubio, Ramón G

    2013-06-15

    Lithium cations are known to form complexes with the oxygen atoms of poly(oxyethylene) chains. The effect of Li(+) on the surface properties of three block-copolymers containing poly(oxyethylene) (PEO) have been studied. Two types of copolymers have been studied, a water soluble one of the pluronic family, PEO-b-PPO-b-PEO, PPO being poly(propyleneoxyde), and two water insoluble ones: PEO-b-PS and PEO-b-PS-b-PEO, PS being polystyrene. In the case of the pluronic the adsorption kinetics, the equilibrium surface tension isotherm and the aqueous/air surface rheology have been measured, while for the two insoluble copolymers only the surface pressure and the surface rheology have been studied. In all the cases two different Li(+) concentrations have been used. As in the absence of lithium ions, the adsorption kinetics of pluronic solutions shows two processes, and becomes faster as [Li(+)] increases. The kinetics is not diffusion controlled. For a given pluronic concentration the equilibrium surface pressure increases with [Li(+)], and the isotherms show two surface phase transitions, though less marked than for [Li(+)]=0. A similar behavior was found for the equilibrium isotherms of PEO-b-PS and PEO-b-PS-b-PEO. The surface elasticity of these two copolymers was found to increase with [Li(+)] over the whole surface concentration and frequency ranges studied. A smaller effect was found in the case of the pluronic solutions. The results of the pluronic solutions were modeled using a recent theory that takes into account that the molecules can be adsorbed at the surface in two different states. The theory gives a good fit for the adsorption kinetics and a reasonably good prediction of the equilibrium isotherms for low and intermediate concentrations of pluronic. However, the theory is not able to reproduce the isotherm for [Li(+)]=0. Only a semi-quantitative prediction of the surface elasticity is obtained for [pluronic]≤1×10(-3) mM. Copyright © 2013 Elsevier Inc. All

  10. The solution of the point kinetics equations via converged accelerated Taylor series (CATS)

    Energy Technology Data Exchange (ETDEWEB)

    Ganapol, B.; Picca, P. [Dept. of Aerospace and Mechanical Engineering, Univ. of Arizona (United States); Previti, A.; Mostacci, D. [Laboratorio di Montecuccolino, Alma Mater Studiorum - Universita di Bologna (Italy)

    2012-07-01

    This paper deals with finding accurate solutions of the point kinetics equations including non-linear feedback, in a fast, efficient and straightforward way. A truncated Taylor series is coupled to continuous analytical continuation to provide the recurrence relations to solve the ordinary differential equations of point kinetics. Non-linear (Wynn-epsilon) and linear (Romberg) convergence accelerations are employed to provide highly accurate results for the evaluation of Taylor series expansions and extrapolated values of neutron and precursor densities at desired edits. The proposed Converged Accelerated Taylor Series, or CATS, algorithm automatically performs successive mesh refinements until the desired accuracy is obtained, making use of the intermediate results for converged initial values at each interval. Numerical performance is evaluated using case studies available from the literature. Nearly perfect agreement is found with the literature results generally considered most accurate. Benchmark quality results are reported for several cases of interest including step, ramp, zigzag and sinusoidal prescribed insertions and insertions with adiabatic Doppler feedback. A larger than usual (9) number of digits is included to encourage honest benchmarking. The benchmark is then applied to the enhanced piecewise constant algorithm (EPCA) currently being developed by the second author. (authors)

  11. HF effect on dissociation kinetics of plutonium and neptunium complexes with 1,2-diaminocyclohexanetetraacetic acid in nitric acid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Nikitina, S.A.; Stepanov, A.V.

    1982-01-01

    Dissociation kinetics of Pusup((4)) and Np sup((4)) complexes with DCTA were investigated in HNO/sub 3/ solutions in the presence of HF and arsenazo 3. It was found that HF or NaF produced a differentiating effect on the reactivity of the complexes at (HNO/sub 3/)=1-6 mol/l as well as inhibiting effect at (HNO/sub 3/)=0.01 mol/l. Conditions of the differential kinetic analysis of plutonium and neptunium in the mixture and differential spectrophotometric analysis of uranium (6) during the camouflage of neptunium (4) and plutonium (4) were determined.

  12. A Kinetic Model for β-Amyloid Adsorption at the Air/Solution Interface and Its Implication to the β-Amyloid Aggregation Process

    Science.gov (United States)

    Jiang, Dianlu; Dinh, Kim Lien; Ruthenburg, Travis; Zhang, Yi; Su, Lei; Land, Donald; Zhou, Feimeng

    2011-01-01

    The kinetics of adsorption at the air/buffer solution interface of amyloid beta peptide, Aβ(1–42), whose bulk concentration (submicromolar) is more than two orders of magnitude lower than that typically used in other in vitro aggregation studies, has been studied using a Langmuir-Blodgett trough. The pressure–time curves exhibit a lag phase, wherein the surface pressure essentially remains at zero, and a rising phase, corresponding to the Aβ adsorption at the interface. The duration of the lag phase was found to be highly dependent on both the Aβ bulk concentration and the solution temperature. A large activation energy (62.2 ± 4.1 KJ/mol) was determined and the apparent adsorption rate constant was found to be linearly dependent on the Aβ bulk concentration. Attenuated total reflection-IR spectra of the adsorbed Aβ transferred to a solid substrate and circular dichroism measurements of Aβ in the solution layer near the interface reveal that the natively unstructured Aβ in the bulk undergo a conformation change (folding) to mainly the α-helical structure. The results suggest that, prior to the adsorption step, an equilibrium between Aβ conformations is established within the subsurface. The kinetic equation derived from this model confirms that the overall Aβ adsorption is kinetically controlled and the apparent rate constant is proportional to the Aβ bulk concentration. This model also indicates that interfaces such as cell membranes and lipid bilayers may facilitate Aβ aggregation/fibrillation by providing a thin hydrophobic layer adjacent to the interface for the initial Aβ conformation change (misfolding) and accumulation. Such a preconcentration effect offers a plausible explanation of the fact that Aβ fibrillation occurs in vivo at nanomolar concentrations. Another important biological implication from our work is that Aβ misfolding may occur before its adsorption onto a cell membrane. This general kinetic model should also find

  13. A kinetic model for beta-amyloid adsorption at the air/solution interface and its implication to the beta-amyloid aggregation process.

    Science.gov (United States)

    Jiang, Dianlu; Dinh, Kim Lien; Ruthenburg, Travis C; Zhang, Yi; Su, Lei; Land, Donald P; Zhou, Feimeng

    2009-03-12

    At the air/buffer solution interface the kinetics of adsorption of amyloid beta peptide, Abeta(1-42), whose bulk concentration (submicromolar) is more than 2 orders of magnitude lower than that typically used in other in vitro aggregation studies, has been studied using a Langmuir-Blodgett trough. The pressure-time curves exhibit a lag phase, wherein the surface pressure essentially remains at zero, and a rising phase, corresponding to the Abeta adsorption at the interface. The duration of the lag phase was found to be highly dependent on both the Abeta bulk concentration and the solution temperature. A large activation energy (62.2 +/- 4.1 KJ/mol) was determined and the apparent adsorption rate constant was found to be linearly dependent on the Abeta bulk concentration. Attenuated total reflection-IR spectra of the adsorbed Abeta transferred to a solid substrate and circular dichroism measurements of Abeta in the solution layer near the interface reveal that the natively unstructured Abeta in the bulk undergo a conformation change (folding) to mainly the alpha-helical structure. The results suggest that, prior to the adsorption step, an equilibrium between Abeta conformations is established within the subsurface. The kinetic equation derived from this model confirms that the overall Abeta adsorption is kinetically controlled and the apparent rate constant is proportional to the Abeta bulk concentration. This model also indicates that interfaces such as cell membranes and lipid bilayers may facilitate Abeta aggregation/ fibrillation by providing a thin hydrophobic layer adjacent to the interface for the initial A/beta conformation change (misfolding) and accumulation. Such a preconcentration effect offers a plausible explanation of the fact that Abeta fibrillation occurs in vivo at nanomolar concentrations. Another important biological implication from our work is that Abeta misfolding may occur before its adsorption onto a cell membrane. This general kinetic model

  14. Non-dissipative kinetic simulation and analytical solution of three-mode equations of ion temperature gradient instability

    International Nuclear Information System (INIS)

    Watanabe, T.-H.; Sugama, H.; Sato, T.

    1999-12-01

    A non-dissipative drift kinetic simulation scheme, which rigorously satisfies the time-reversibility, is applied to the three-mode coupling problem of the ion temperature gradient (ITG) instability. It is found from the simulation that the three-mode ITG system repeats growth and decay with a period which shows a logarithmic divergence for infinitesimal initial perturbations. Accordingly, time average of the mode amplitude vanishes, as the initial amplitude approaches to zero. An exact solution is analytically given for a class of initial conditions. An excellent agreement is confirmed between the analytical solution and numerical results. The results obtained here provide a useful reference for basic benchmarking of theories and simulation of the ITG modes. (author)

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

    International Nuclear Information System (INIS)

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

    1982-01-01

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

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

    Science.gov (United States)

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

    2015-08-01

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

  17. Kinetic-limited etching of magnesium doping nitrogen polar GaN in potassium hydroxide solution

    Science.gov (United States)

    Jiang, Junyan; Zhang, Yuantao; Chi, Chen; Yang, Fan; Li, Pengchong; Zhao, Degang; Zhang, Baolin; Du, Guotong

    2016-01-01

    KOH based wet etchings were performed on both undoped and Mg-doped N-polar GaN films grown by metal-organic chemical vapor deposition. It is found that the etching rate for Mg-doped N-polar GaN gets slow obviously compared with undoped N-polar GaN. X-ray photoelectron spectroscopy analysis proved that Mg oxide formed on N-polar GaN surface is insoluble in KOH solution so that kinetic-limited etching occurs as the etching process goes on. The etching process model of Mg-doped N-polar GaN in KOH solution is tentatively purposed using a simplified ideal atomic configuration. Raman spectroscopy analysis reveals that Mg doping can induce tensile strain in N-polar GaN films. Meanwhile, p-type N-polar GaN film with a hole concentration of 2.4 ÿ 1017 cm⿿3 was obtained by optimizing bis-cyclopentadienyl magnesium flow rates.

  18. Kinetics and thermodynamics of textile dye adsorption from aqueous solutions using babassu coconut mesocarp

    International Nuclear Information System (INIS)

    Vieira, Adriana P.; Santana, Sirlane A.A.; Bezerra, Cicero W.B.; Silva, Hildo A.S.; Chaves, Jose A.P.; Melo, Julio C.P. de; Silva Filho, Edson C. da; Airoldi, Claudio

    2009-01-01

    Extracted babassu coconut (Orbignya speciosa) mesocarp (BCM) was applied as a biosorbent for aqueous Blue Remazol R160 (BR 160), Rubi S2G (R S2G), Red Remazol 5R (RR 5), Violet Remazol 5R (VR 5) and Indanthrene Olive Green (IOG) dye solutions. The natural sorbent was processed batchwise while varying several system parameters such as stirring time, pH and temperature. The interactions were assayed with respect to both pseudo-first-order and second-order reaction kinetics, with the latter the more suitable kinetic model. The maximum adsorption was obtained at pH 1.0 for all dyes due to available anionic groups attached to the structures, which can be justified by pH pzc 6.7 for the biosorbent BCM. The ability of babassu coconut mesocarp to adsorb dyes gave the order R S2G > VR 5 > BR 160 > IOG > RR 5, which data were best fit to Freundlich model, but did not well-adjusted for all dyes. The dye/biopolymer interactions at the solid/liquid interface are all spontaneous as given by free Gibbs energy, with exothermic enthalpic values of -26.1, -15.8, -17.8, -15.8 and -23.7 kJ mol -1 for BR 160, R S2G, RR 5, IOG and VR 5, respectively. In spite of the negative entropic values contribution, the set of thermodynamic data is favorable for all dyes removal. However, the results pointed to the effectiveness of the mesocarp of babassu coconut as a biosorbent for removing textile dyes from aqueous solutions.

  19. Structural and silver/vanadium ratio effects on silver vanadium phosphorous oxide solution formation kinetics: impact on battery electrochemistry.

    Science.gov (United States)

    Bock, David C; Takeuchi, Kenneth J; Marschilok, Amy C; Takeuchi, Esther S

    2015-01-21

    The detailed understanding of non-faradaic parasitic reactions which diminish battery calendar life is essential to the development of effective batteries for use in long life applications. The dissolution of cathode materials including manganese, cobalt and vanadium oxides in battery systems has been identified as a battery failure mechanism, yet detailed dissolution studies including kinetic analysis are absent from the literature. The results presented here provide a framework for the quantitative and kinetic analyses of the dissolution of cathode materials which will aid the broader community in more fully understanding this battery failure mechanism. In this study, the dissolution of silver vanadium oxide, representing the primary battery powering implantable cardioverter defibrillators (ICD), is compared with the dissolution of silver vanadium phosphorous oxide (Ag(w)VxPyOz) materials which were targeted as alternatives to minimize solubility. This study contains the first kinetic analyses of silver and vanadium solution formation from Ag0.48VOPO4·1.9H2O and Ag2VP2O8, in a non-aqueous battery electrolyte. The kinetic results are compared with those of Ag2VO2PO4 and Ag2V4O11 to probe the relationships among crystal structure, stoichiometry, and solubility. For vanadium, significant dissolution was observed for Ag2V4O11 as well as for the phosphate oxide Ag0.49VOPO4·1.9H2O, which may involve structural water or the existence of multiple vanadium oxidation states. Notably, the materials from the SVPO family with the lowest vanadium solubility are Ag2VO2PO4 and Ag2VP2O8. The low concentrations and solution rates coupled with their electrochemical performance make these materials interesting alternatives to Ag2V4O11 for the ICD application.

  20. Kinetics of the Reduction of Cadmium Sulfate by Thiourea Dioxide in an Aqueous Ammonia Solution upon the Metallization of Carbon Fiber

    Science.gov (United States)

    Polenov, Yu. V.; Egorova, E. V.; Shestakov, G. A.

    2018-01-01

    The kinetics of the decomposition of thiourea dioxide and the reduction of cadmium cations by thiourea dioxide in an aqueous ammonia solution are studied. The kinetic parameters of these reactions are calculated using experimental data, allowing us to adjust conditions for the synthesis of cadmium coatings on carbon fiber of grade UKN-M-12K. The presence of the metal crystalline phase on the fiber is confirmed by means of X-ray diffraction, and its amount is measured via atomic absorption spectroscopy.

  1. 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)

  2. Principles of chemical kinetics

    CERN Document Server

    House, James E

    2007-01-01

    James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

  3. Kinetics, isotherms, and thermodynamic studies of lead, chromium, and cadmium bio-adsorption from aqueous solution onto Picea smithiana sawdust.

    Science.gov (United States)

    Mahmood-Ul-Hassan, Muhammad; Yasin, Muhammad; Yousra, Munazza; Ahmad, Rizwan; Sarwar, Sair

    2018-05-01

    Lead (Pb), chromium (Cr), and cadmium (Cd) removal capacity of sawdust (Picea smithiana) from aqueous solution was investigated by conducting batch experiments. Thermodynamic parameters, like change in standard free energy (ΔG Θ ), enthalpy (ΔH Θ ) and entropy (ΔS Θ ) during bio-adsorption process were estimated using the Van't Hoff equation. The maximum metals adsorption was observed at pH 8, 20 g L -1 bio-adsorbent and at 60 min of contact time. The metal adsorption kinetics was examined by fitting the pseudo-first-order as well as four forms of pseudo-second-order kinetic models. Type 1 pseudo-second-order equation described adsorption kinetics better than others. Langmuir model and Freundlich equations were used for calculation of sorption parameters. The Langmuir maximum adsorption capacity of Pb, Cr, and Cd was 6.35, 3.37, and 2.87 mg g -1 at room temperature, respectively. The values of the separation factor (RL) were in between 0 and 1, indicating that bio-adsorption was favorable. Thermodynamics study revealed that the Pb, Cr, and Cd uptake reactions were endothermic and spontaneous. Results of the study asserted that the removal of heavy metal ions from aqueous solution is viable and the sawdust could be used in the treatment of effluents from industries, thereby reducing the level of water pollution.

  4. 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)

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

    NARCIS (Netherlands)

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

    1972-01-01

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

  6. Removal of methylene blue from aqueous solution with magnetite loaded multi-wall carbon nanotube: Kinetic, isotherm and mechanism analysis

    International Nuclear Information System (INIS)

    Ai, Lunhong; Zhang, Chunying; Liao, Fang; Wang, Yao; Li, Ming; Meng, Lanying; Jiang, Jing

    2011-01-01

    Highlights: ► M-MWCNTs were synthesized by a facile one-pot solvothermal method and used as an efficient adsorbent for removing toxic dye from aqueous solution. ► The adsorption process was characterized by kinetics and isotherm analysis. ► FTIR analysis was employed to investigate the interactions between M-MWCNTs and dye. - Abstract: In this study, we have demonstrated the efficient removal of cationic dye, methylene blue (MB), from aqueous solution with the one-pot solvothermal synthesized magnetite-loaded multi-walled carbon nanotubes (M-MWCNTs). The as-prepared M-MWCNTs were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) spectroscopy. The effects of contact time, initial dye concentration, and solution pH on the adsorption of MB onto M-MWCNTs were systematically studied. It was shown that the MB adsorption was pH-dependent. Adsorption kinetics was best described by the pseudo-second-order model. Equilibrium data were well fitted to the Langmuir isotherm model, yielding maximum monolayer adsorption capacity of 48.06 mg g −1 . FTIR analysis suggested that the adsorption mechanism was possibly attributed to the electrostatic attraction and π–π stacking interactions between MWCNTs and MB.

  7. Kinetic studies of adsorption of Cu (II) from aqueous solution by coriander seeds (Coriandrum Sativum)

    Science.gov (United States)

    Kadiri, L.; Lebkiri, A.; Rifi, E. H.; Ouass, A.; Essaadaoui, Y.; Lebkiri, I.; Hamad, H.

    2018-05-01

    The adsorption of copper ions Cu2+ by Coriandrum Sativum seeds (CSS) from aqueous solution was studied in order to highlight the importance of coriander seeds as a potential tool in the treatment of wastewaters containing heavy metals. The kinetic studies of adsorption of Cu (II) were discussed using the spectroscopic technique "Inducting Coupled Plasma" (ICP). The effects of initial copper ion concentration and contact time were determined. All results show that coriander seeds have, over their culinary and medicinal benefits, a significant adsorbent power of copper ions.

  8. Kinetic modeling and simulation of PCE and TCE removal in aqueous solutions by electron-beam irradiation

    International Nuclear Information System (INIS)

    Nickelsen, Michael G.; Cooper, William J.; Secker, David A.; Rosocha, Louis A.; Kurucz, Charles N.; Waite, Thomas D.

    2002-01-01

    The irradiation of aqueous solutions of TCE and PCE using a high-energy electron-beam results in the rapid decomposition of both chemicals. It is known that both TCE and PCE react with the aqueous electron and the hydroxyl radical with bimolecular rate constants greater than 10 9 M -1 s -1 for each reaction. The fact that high-energy electrons produce significant concentrations of both e aq - and ·OH radicals in water makes it an effective process for the removal of TCE and PCE from aqueous solution. We have employed steady state and computer-based chemical kinetic models to simulate and better understand the chemistry and kinetics of e-beam irradiation when applied to natural water systems. Model results were benchmarked to experimental data, allowing for the optimization of the reaction of DOC with the ·OH radical. Values for the associated second-order reaction rate constant were found to be 2.5x10 8 and 4.0x10 8 M -1 s -1 , consistent with reported values for k OH,DOC . The models were also used to investigate the possibility of incomplete irradiation during treatment and the presence of proposed chemical reactions of by-products. The reactions involve radicals and radical-adduct species formed by the reaction of TCE and PCE with the hydroxyl radical

  9. Kinetics of catalytic reactions solutions manual

    CERN Document Server

    Vannice, M Albert

    2005-01-01

    Including countless exercises and worked examples, this advanced reference work and textbook will be extremely useful for the work of many industrial scientists. It teaches readers to design kinetic experiments involving heterogeneous catalysts, to characterize these catalysts, to acquire rate data, to find heat and mass transfer limitations in these data, to select reaction models, to derive rate expressions based on these models, and to assess the consistency of these rate equations.

  10. The Einstein-Vlasov System/Kinetic Theory.

    Science.gov (United States)

    Andréasson, Håkan

    2011-01-01

    The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on non-relativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to a good comprehension of kinetic theory in general relativity.

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

    Directory of Open Access Journals (Sweden)

    Stevens Azubuike Odoemelam

    2015-01-01

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

  12. Some Aspects of Extended Kinetic Equation

    Directory of Open Access Journals (Sweden)

    Dilip Kumar

    2015-09-01

    Full Text Available Motivated by the pathway model of Mathai introduced in 2005 [Linear Algebra and Its Applications, 396, 317–328] we extend the standard kinetic equations. Connection of the extended kinetic equation with fractional calculus operator is established. The solution of the general form of the fractional kinetic equation is obtained through Laplace transform. The results for the standard kinetic equation are obtained as the limiting case.

  13. Nucleation and Growth Kinetics from LaMer Burst Data.

    Science.gov (United States)

    Chu, Daniel B K; Owen, Jonathan S; Peters, Baron

    2017-10-12

    In LaMer burst nucleation, the individual nucleation events happen en masse, quasi-simultaneously, and at nearly identical homogeneous conditions. These properties make LaMer burst nucleation important for applications that require monodispersed particles and also for theoretical analyses. Sugimoto and co-workers predicted that the number of nuclei generated during a LaMer burst depends only on the solute supply rate and the growth rate, independent of the nucleation kinetics. Some experiments confirm that solute supply kinetics control the number of nuclei, but flaws in the original theoretical analysis raise questions about the predicted roles of growth and nucleation kinetics. We provide a rigorous analysis of the coupled equations that govern concentrations of nuclei and solutes. Our analysis confirms that the number of nuclei is largely determined by the solute supply and growth rates, but our predicted relationship differs from that of Sugimoto et al. Moreover, we find that additional nucleus size dependent corrections should emerge in systems with slow growth kinetics. Finally, we show how the nucleation kinetics determine the particle size distribution. We suggest that measured particle size distributions might therefore provide ways to test theoretical models of homogeneous nucleation kinetics.

  14. Kinetics Modeling and Isotherms for Adsorption of Phosphate from Aqueous Solution by Modified Clinoptilolit

    Directory of Open Access Journals (Sweden)

    Mohammad Malakootian

    2012-01-01

    Full Text Available The Phosphorous discharge into the surface water led to excessive growth of algae and eutrophication in lakes and rivers. Therefore the phosphorus removal is important due to negative effect on water resources. The aim of this study was to investigat the modification of clinoptilolite and application of modified clinoptilolite for phosphorous adsorption from aqueous solution and isotherms and kinetics modeling. Hexadecyl Trimethyl Ammonium bromide (HDTMA-Br, Hexadecyl trimethyl Ammonium Chloride (HDTMA-Cl, Sodium Decyl Sulphate (SDS and Cetrimide-C were used for modification of clinoptilolite. Experiments were conducted using jar apparatus and batch system. The effect of pH, adsorbent doses, contact time, phosphate initial concentration and particle size were studied surveyed on phosphate adsorption by modified clinoptilolite. The most common isotherms and the kinetics adsorption equations were used for determination of adsorption rate and dynamic reaction. The results showed that maximum phosphate adsorption was obtained in the pH of 7 and contact time 90min. Also it was found with the increasing of phosphate initial concentration, phosphate removal efficiency decreased significantly. Langmuir No 2 showed a good correlation compared to other isotherms (R2=0.997. Maximum adsorption capacity was obtained in 20g/L adsorbent dose (22.73mg/g. Also Interaparticle diffusion kinetics well fits with experimental data (R2=0.999 with constant rate of 3.84mg/g min0.5. The result showed that modified clinoptilolite can be used successfully as low cost and effective absorbent for phosphate removal.

  15. Kinetics of isotopic exchange between calcium molybdate and molybdate ions in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Atun, G.; Ayar, N.; Bilgin, B. [Istanbul Univ. (Turkey). Dept. of Chemistry, Fac. of Engineering; Bodur, N.; Ayyildiz, H. [Cekmece Nuclear Research and Training Center, Istanbul (Turkey)

    2007-07-01

    The heterogeneous isotopic anion exchange kinetics and equilibria between calcium molybdate and sodium molybdate solutions have been studied by using {sup 99}Mo as tracer in batch experiments. The values of exchange ratio lower than unity suggest that rate-limiting step is particle diffusion process and the effect of re-crystallization can be neglected. The self-diffusion coefficients calculated using both Paterson's and Nernst-Plank approximations are increased by the temperature. The observed values for isotope exchange characteristics such as exchange fractions, exchanging amounts and fractional attainment of equilibrium are consistent with those of their calculated values. Activation energy and thermodynamic parameters calculated based on transition state theory indicate the existence of both energy and entropy barrier in the system. (orig.)

  16. Kinetics of isotopic exchange between calcium molybdate and molybdate ions in aqueous solution

    International Nuclear Information System (INIS)

    Atun, G.; Ayar, N.; Bilgin, B.

    2007-01-01

    The heterogeneous isotopic anion exchange kinetics and equilibria between calcium molybdate and sodium molybdate solutions have been studied by using 99 Mo as tracer in batch experiments. The values of exchange ratio lower than unity suggest that rate-limiting step is particle diffusion process and the effect of re-crystallization can be neglected. The self-diffusion coefficients calculated using both Paterson's and Nernst-Plank approximations are increased by the temperature. The observed values for isotope exchange characteristics such as exchange fractions, exchanging amounts and fractional attainment of equilibrium are consistent with those of their calculated values. Activation energy and thermodynamic parameters calculated based on transition state theory indicate the existence of both energy and entropy barrier in the system. (orig.)

  17. 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.

  18. Phase-field model and its numerical solution for coring and microstructure evolution studies in alloys

    Science.gov (United States)

    Turchi, Patrice E. A.; Fattebert, Jean-Luc; Dorr, Milo R.; Wickett, Michael E.; Belak, James F.

    2011-03-01

    We describe an algorithm for the numerical solution of a phase-field model (PFM) of microstructure evolution in alloys using physical parameters from thermodynamic (CALPHAD) and kinetic databases. The coupled system of PFM equations includes a local order parameter, a quaternion representation of local crystal orientation and a species composition parameter. Time evolution of microstructures and alloy composition is obtained using an implicit time integration of the system. Physical parameters in databases can be obtained either through experiment or first-principles calculations. Application to coring studies and microstructure evolution of Au-Ni will be presented. Prepared by LLNL under Contract DE-AC52-07NA27344

  19. Modeling uptake kinetics of cadmium by field-grown lettuce

    Energy Technology Data Exchange (ETDEWEB)

    Chen Weiping [Department of Environmental Sciences, University of California, 900 University Avenue, Riverside, CA 92521 (United States)], E-mail: chenweip@yahoo.com.cn; Li Lianqing [Institute of Resources, Ecosystem and Environment of Agriculture, Nanjing Agricultural University, Nanjing 210095 (China); Chang, Andrew C.; Wu Laosheng [Department of Environmental Sciences, University of California, 900 University Avenue, Riverside, CA 92521 (United States); Kwon, Soon-Ik [Agricultural Environmental and Ecology Division, National Institute of Agricultural Science and Technology, Suwon 441-707 (Korea, Republic of); Bottoms, Rick [Desert Research and Extension Center, 1004 East Holton Road, El Centro, CA 92243 (United States)

    2008-03-15

    Cadmium uptake by field grown Romaine lettuce treated with P-fertilizers of different Cd levels was investigated over an entire growing season. Results indicated that the rate of Cd uptake at a given time of the season can be satisfactorily described by the Michaelis-Menten kinetics, that is, plant uptake increases as the Cd concentration in soil solution increases, and it gradually approaches a saturation level. However, the rate constant of the Michaelis-Menten kinetics changes over the growing season. Under a given soil Cd level, the cadmium content in plant tissue decreases exponentially with time. To account for the dynamic nature of Cd uptake, a kinetic model integrating the time factor was developed to simulate Cd plant uptake over the growing season: C{sub Plant} = C{sub Solution} . PUF{sub max} . exp[-b . t], where C{sub Plant} and C{sub Solution} refer to the Cd content in plant tissue and soil solution, respectively, PUF{sub max} and b are kinetic constants. - A kinetic model was developed to evaluate the uptake of Cd under field conditions.

  20. Modeling uptake kinetics of cadmium by field-grown lettuce

    International Nuclear Information System (INIS)

    Chen Weiping; Li Lianqing; Chang, Andrew C.; Wu Laosheng; Kwon, Soon-Ik; Bottoms, Rick

    2008-01-01

    Cadmium uptake by field grown Romaine lettuce treated with P-fertilizers of different Cd levels was investigated over an entire growing season. Results indicated that the rate of Cd uptake at a given time of the season can be satisfactorily described by the Michaelis-Menten kinetics, that is, plant uptake increases as the Cd concentration in soil solution increases, and it gradually approaches a saturation level. However, the rate constant of the Michaelis-Menten kinetics changes over the growing season. Under a given soil Cd level, the cadmium content in plant tissue decreases exponentially with time. To account for the dynamic nature of Cd uptake, a kinetic model integrating the time factor was developed to simulate Cd plant uptake over the growing season: C Plant = C Solution . PUF max . exp[-b . t], where C Plant and C Solution refer to the Cd content in plant tissue and soil solution, respectively, PUF max and b are kinetic constants. - A kinetic model was developed to evaluate the uptake of Cd under field conditions

  1. Crevice-corrosion kinetics on titanium and a Ti-Ni-Mo alloy in chloride solutions at elevated temperature

    International Nuclear Information System (INIS)

    McKay, P.

    1987-01-01

    The results of an electrochemical investigation of the crevice-corrosion kinetics on titanium and a dilute Ti-Ni-Mo alloy (0.8% Ni, 0.3% Mo), in concentrated chloride solutions at 150 0 C, are presented. The current-time transients, obtained on creviced electrodes under both potentiostatic and galvanic (coupling to a large area of uncreviced titanium) conditions, are interpreted in terms of crevice acidification leading to the formation of an active-passive cell, maintained by iR gradient in the electrolyte. The passivating effect of the Ni and Mo additions on the crevice corrosion of titanium are described, together with the results of an electrochemical study, carried out in bulk acid chloride solutions, that were used to substantiate a proposed mechanism of crevice passivation. (author)

  2. Chemical kinetics and reaction dynamics

    CERN Document Server

    Houston, Paul L

    2006-01-01

    This text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. It features solutions to selected problems, with separate sections and appendices that cover more technical applications.Each chapter is self-contained and features an introduction that identifies its basic goals, their significance, and a general plan for their achievement. This text's important aims are to demonstrate that the basic kinetic principles are essential to the solution of modern chemical problems, and to show how the underlying qu

  3. Adsorption of reactive dyes from aqueous solutions by fly ash: Kinetic and equilibrium studies

    International Nuclear Information System (INIS)

    Dizge, N.; Aydiner, C.; Demirbas, E.; Kobya, M.; Kara, S.

    2008-01-01

    Adsorption kinetic and equilibrium studies of three reactive dyes namely, Remazol Brillant Blue (RB), Remazol Red 133 (RR) and Rifacion Yellow HED (RY) from aqueous solutions at various initial dye concentration (100-500 mg/l), pH (2-8), particle size (45-112.5 μm) and temperature (293-323 K) on fly ash (FA) were studied in a batch mode operation. The adsorbent was characterized with using several methods such as SEM, XRD and FTIR. Adsorption of RB reactive dye was found to be pH dependent but both RR and RY reactive dyes were not. The result showed that the amount adsorbed of the reactive dyes increased with increasing initial dye concentration and contact time. Batch kinetic data from experimental investigations on the removal of reactive dyes from aqueous solutions using FA have been well described by external mass transfer and intraparticle diffusion models. It was found that external mass transfer and intraparticle diffusion had rate limiting affects on the removal process. This was attributed to the relatively simple macropore structure of FA particles. The adsorption data fitted well with Langmuir and Freundlich isotherm models. The optimum conditions for removal of the reactive dyes were 100 mg/l initial dye concentration, 0.6 g/100 ml adsorbent dose, temperature of 293 K, 45 μm particle size, pH 6 and agitation speed of 250 rpm, respectively. The values of Langmuir and Freundlich constants were found to increase with increasing temperature in the range 135-180 and 15-34 mg/g for RB, 47-86 and 1.9-3.7 mg/g for RR and 37-61 and 3.0-3.6 mg/g for RY reactive dyes, respectively. Different thermodynamic parameters viz., changes in standard free energy, enthalpy and entropy were evaluated and it was found that the reaction was spontaneous and endothermic in nature

  4. Adsorption of uranium(VI) from sulphate solutions using Amberlite IRA-402 resin: Equilibrium, kinetics and thermodynamics study

    International Nuclear Information System (INIS)

    Solgy, Mostafa; Taghizadeh, Majid; Ghoddocynejad, Davood

    2015-01-01

    Highlights: • Adsorption of uranium from sulphate solutions by an anion exchange resin. • The effects of pH, contact time and adsorbent dosage were investigated. • The adsorption equilibrium is well described by the Freundlich isotherm model. • The adsorption kinetics can be predicted by the pseudo second-order model. • The adsorption is a physical, spontaneous and endothermic process. - Abstract: In the present study, adsorption of uranium from sulphate solutions was evaluated using Amberlite IRA-402 resin. The variation of adsorption process was investigated in batch sorption mode. The parameters studied were pH, contact time and adsorbent dosage. Langmuir and Freundlich isotherm models were used in order to present a mathematical description of the equilibrium data at three different temperatures (25 °C, 35 °C and 45 °C). The final results confirmed that the equilibrium data tend to follow Freundlich isotherm model. The maximum adsorption capacity of Amberlite IRA-402 for uranium(VI) was evaluated to be 213 mg/g for the Langmuir model at 25 °C. The adsorption of uranium on the mentioned anion exchange resin was found to follow the pseudo-second order kinetic model, indicating that chemical adsorption was the rate limiting-step. The values of thermodynamic parameters proved that adsorption process of uranium onto Amberlite IRA-402 resin could be considered endothermic (ΔH > 0) and spontaneous (ΔG < 0)

  5. Estimation of the nucleation kinetics for the anti-solvent crystallisation of paracetamol in methanol/water solutions

    Science.gov (United States)

    Ó'Ciardhá, Clifford T.; Frawley, Patrick J.; Mitchell, Niall A.

    2011-08-01

    In this work the primary nucleation kinetics have been estimated for the anti-solvent crystallisation of paracetamol in methanol-water solutions from metastable zone widths (MSZW) and induction times at 25 °C. Laser back-scattering via a focused beam reflectance Measurement (FBRM ®) is utilised to detect the onset of nucleation. The theoretical approach of Kubota was employed to estimate the nucleation kinetics, which accounts for the sensitivity of the nucleation detection technique. This approach is expanded in this work to analyse the induction time for an anti-solvent crystallisation process. Solvent composition is known to have a significant impact on the measured induction times and MSZW. The induction time in this paper was measured from 40% to 70% mass water and the MSZW is measured from 40% to 60% mass water. The primary focus of the paper was to gauge the extent of how solvent composition affects nucleation kinetics so that this effect may be incorporated into a population balance model. Furthermore, the effects of solvent composition on the estimated nucleation rates are investigated. The primary nucleation rates were found to decrease with dynamic solvent composition, with the extent of their reduction linked to the gradient of the solubility curve. Finally, both MSZW and induction time methods have been found to produce similar estimates for the nucleation parameters.

  6. Solving Simple Kinetics without Integrals

    Science.gov (United States)

    de la Pen~a, Lisandro Herna´ndez

    2016-01-01

    The solution of simple kinetic equations is analyzed without referencing any topic from differential equations or integral calculus. Guided by the physical meaning of the rate equation, a systematic procedure is used to generate an approximate solution that converges uniformly to the exact solution in the case of zero, first, and second order…

  7. Kinetic of the COLUMBO-TANTALITE dissolution in aqueous solutions of hydrofluoric acid

    International Nuclear Information System (INIS)

    Rodriguez, Mario; Quiroga, Oscar; Ruiz, Maria del Carmen

    2003-01-01

    The dissolution rate of a columbo-tantalite of the San Luis Province in aqueous solutions of hydrofluoric acid has been studied.Experiments at different temperatures were carried out in a pressure reactor.The experimental results show that the mineral dissolution increases with the reaction time.This effect is greater when the temperature increases from 348 up to 396 K, but it is little 493 K. The experimental data were treated with different models, which have been deduced for the kinetic study of solid-fluid non-catalytic heterogeneous reactions. As a result, the better model that fit the experimental data is a model based on the nucleation and growth theory.This model is physically according to the attack observed by means of scanning electron microscopy (SEM) and energy-dispersive X-ray spectrometry (EDXS) on the mineral residues.These residues show an irregular located-type attack

  8. A water activity based model of heterogeneous ice nucleation kinetics for freezing of water and aqueous solution droplets.

    Science.gov (United States)

    Knopf, Daniel A; Alpert, Peter A

    2013-01-01

    Immersion freezing of water and aqueous solutions by particles acting as ice nuclei (IN) is a common process of heterogeneous ice nucleation which occurs in many environments, especially in the atmosphere where it results in the glaciation of clouds. Here we experimentally show, using a variety of IN types suspended in various aqueous solutions, that immersion freezing temperatures and kinetics can be described solely by temperature, T, and solution water activity, a(w), which is the ratio of the vapour pressure of the solution and the saturation water vapour pressure under the same conditions and, in equilibrium, equivalent to relative humidity (RH). This allows the freezing point and corresponding heterogeneous ice nucleation rate coefficient, J(het), to be uniquely expressed by T and a(w), a result we term the a(w) based immersion freezing model (ABIFM). This method is independent of the nature of the solute and accounts for several varying parameters, including cooling rate and IN surface area, while providing a holistic description of immersion freezing and allowing prediction of freezing temperatures, J(het), frozen fractions, ice particle production rates and numbers. Our findings are based on experimental freezing data collected for various IN surface areas, A, and cooling rates, r, of droplets variously containing marine biogenic material, two soil humic acids, four mineral dusts, and one organic monolayer acting as IN. For all investigated IN types we demonstrate that droplet freezing temperatures increase as A increases. Similarly, droplet freezing temperatures increase as the cooling rate decreases. The log10(J(het)) values for the various IN types derived exclusively by Tand a(w), provide a complete description of the heterogeneous ice nucleation kinetics. Thus, the ABIFM can be applied over the entire range of T, RH, total particulate surface area, and cloud activation timescales typical of atmospheric conditions. Lastly, we demonstrate that ABIFM can

  9. Equilibrium, Kinetic and Thermodynamic Study of Removal of Eosin Yellow from Aqueous Solution Using Teak Leaf Litter Powder.

    Science.gov (United States)

    Oyelude, Emmanuel O; Awudza, Johannes A M; Twumasi, Sylvester K

    2017-09-22

    Low-cost teak leaf litter powder (TLLP) was prepared as possible substitute for activated carbon. The feasibility of using the adsorbent to remove eosin yellow (EY) dye from aqueous solution was investigated through equilibrium adsorption, kinetic and thermodynamic studies. The removal of dye from aqueous solution was feasible but influenced by temperature, pH, adsorbent dosage and contact time. Variation in the initial concentration of dye did not influence the equilibrium contact time. Optimum adsorption of dye occurred at low adsorbent dosages, alkaline pH and high temperatures. Langmuir isotherm model best fit the equilibrium adsorption data and the maximum monolayer capacity of the adsorbent was 31.64 mg g -1 at 303 K. The adsorption process was best described by pseudo-second order kinetic model at 303 K. Boundary layer diffusion played a key role in the adsorption process. The mechanism of uptake of EY by TLLP was controlled by both liquid film diffusion and intraparticle diffusion. The values of mean adsorption free energy, E (7.91 kJ mol -1 ), and standard enthalpy, ΔH° (+13.34 kJ mol -1 ), suggest physical adsorption. The adsorption process was endothermic and spontaneous. Teak leaf litter powder is a promising low-cost adsorbent for treating wastewaters containing eosin yellow.

  10. A question of balance: Kinetic balance for electrons and positrons

    International Nuclear Information System (INIS)

    Dyall, Kenneth G.

    2012-01-01

    Graphical abstract: Kinetic balance for both electrons and positrons is achieved by applying the correct relation for positive and negative energy states separately and then using the electron and positron eigensolutions from the separate diagonalizations of the Hamiltonian as a dual basis. Highlights: ► Kinetic balance for electrons and positrons is achieved in a dual atomic basis. ► Dual atomic balance alleviates, but does not eliminate, energy prolapse. ► Positron affinities converge quicker with basis set size with dual atomic balance. - Abstract: The kinetic balance criterion used in current relativistic basis set codes is satisfied by the electron solutions of the Dirac equation, but not the positron solutions. A proposal for applying kinetic balance to both sets of solutions is presented. The method is applied along with “normal” kinetic balance to one-electron systems, to investigate its possible relation to prolapse, and to the positron affinity of F − , to investigate the kinetic energy deficiency for positron solutions. The new method reduces but does not eliminate prolapse for energy-optimized basis sets, and provides faster and smoother convergence with basis set size for the positron affinity.

  11. Thermodynamic, Kinetic, and Equilibrium Parameters for the Removal of Lead and Cadmium from Aqueous Solutions with Calcium Alginate Beads

    Directory of Open Access Journals (Sweden)

    Ruth Alfaro-Cuevas-Villanueva

    2014-01-01

    Full Text Available The sorption of cadmium (Cd and lead (Pb by calcium alginate beads (CAB from aqueous solutions in batch systems was investigated. The kinetic and thermodynamic parameters, as well as the sorption capacities of CAB in each system at different temperatures, were evaluated. The rate of sorption for both metals was rapid in the first 10 minutes and reached a maximum in 50 minutes. Sorption kinetic data were fitted to Lagergren, pseudo-second-order and Elovich models and it was found that the second-order kinetic model describes these data for the two metals; comparing kinetic parameters for Cd and Pb sorption a higher kinetic rate (K2 for Pb was observed, indicating that the interaction between lead cations and alginate beads was faster than for cadmium. Similarly, isotherm data were fitted to different models reported in literature and it was found that the Langmuir-Freundlich (L-F and Dubinin-Radushkevich (D-R models describe the isotherms in all cases. CAB sorption capacity for cadmium was 27.4 mg/g and 150.4 mg/g for lead, at 25°C. Sorption capacities of Cd and Pb increase as temperature rises. According to the thermodynamic parameters, the cadmium and lead adsorption process was spontaneous and endothermic. It was also found that pH has an important effect on the adsorption of these metals by CAB, as more were removed at pH values between 6 and 7.

  12. Osmosis and thermodynamics explained by solute blocking.

    Science.gov (United States)

    Nelson, Peter Hugo

    2017-01-01

    A solute-blocking model is presented that provides a kinetic explanation of osmosis and ideal solution thermodynamics. It validates a diffusive model of osmosis that is distinct from the traditional convective flow model of osmosis. Osmotic equilibrium occurs when the fraction of water molecules in solution matches the fraction of pure water molecules that have enough energy to overcome the pressure difference. Solute-blocking also provides a kinetic explanation for why Raoult's law and the other colligative properties depend on the mole fraction (but not the size) of the solute particles, resulting in a novel kinetic explanation for the entropy of mixing and chemical potential of ideal solutions. Some of its novel predictions have been confirmed; others can be tested experimentally or by simulation.

  13. Osmosis and thermodynamics explained by solute blocking

    Science.gov (United States)

    Nelson, Peter Hugo

    2016-01-01

    A solute-blocking model is presented that provides a kinetic explanation of osmosis and ideal solution thermodynamics. It validates a diffusive model of osmosis that is distinct from the traditional convective flow model of osmosis. Osmotic equilibrium occurs when the fraction of water molecules in solution matches the fraction of pure water molecules that have enough energy to overcome the pressure difference. Solute-blocking also provides a kinetic explanation for why Raoult’s law and the other colligative properties depend on the mole fraction (but not the size) of the solute particles, resulting in a novel kinetic explanation for the entropy of mixing and chemical potential of ideal solutions. Some of its novel predictions have been confirmed, others can be tested experimentally or by simulation. PMID:27225298

  14. Kinetics and thermodynamics of β-carotene and chlorophyll adsorption onto acid-activated bentonite from Xinjiang in xylene solution

    International Nuclear Information System (INIS)

    Wu Zhansheng; Li Chun

    2009-01-01

    The kinetics and thermodynamics of β-carotene and chlorophyll adsorption from xylene solution onto acid-activated bentonite (AAB) within the temperature range 65-95 deg. C were investigated. Adsorption of β-carotene was described well with the Langmuir isotherm, whereas chlorophyll adsorption was determined well with the Freundlich isotherm, and the experimental data on chlorophyll adsorption were also fitted by the Langmuir isotherm to a certain extent, as reflected by correlation coefficients (R 2 ) over 0.9865. In addition, the adsorption of β-carotene and chlorophyll onto AAB are favorable. The pseudo-second-order model was found to explain the kinetics of adsorption of both pigments more effectively. Increase of temperature enhanced the adsorption rate and equilibrium adsorption capacity of β-carotene and chlorophyll on AAB. The activation energy for the sorption of β-carotene and chlorophyll on AAB was 19.808 kJ/mol and 16.475 kJ/mol, respectively. The thermodynamic parameters ΔH θ , ΔS θ and ΔG θ , computed from K F of the adsorption isotherm constant, were 21.766 kJ/mol, 92.244 J/K mol and -9.554 kJ/mol respectively for the adsorption of β-carotene on AAB at 65 deg. C, and for adsorption of chlorophyll on AAB at 65 deg. C were 31.051 kJ/mol, 93.549 J/K mol and -0.729 kJ/mol, respectively. The adsorption of β-carotene and chlorophyll in xylene solution on AAB was a spontaneous and endothermic process with increasing in the randomness at the solid-solution interface.

  15. Competition between organics and bromide at the aqueous solution-air interface as seen from ozone uptake kinetics and X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Lee, Ming-Tao; Brown, Matthew A; Kato, Shunsuke; Kleibert, Armin; Türler, Andreas; Ammann, Markus

    2015-05-14

    A more detailed understanding of the heterogeneous chemistry of halogenated species in the marine boundary layer is required. Here, we studied the reaction of ozone (O3) with NaBr solutions in the presence and absence of citric acid (C6H8O7) under ambient conditions. Citric acid is used as a proxy for oxidized organic material present at the ocean surface or in sea spray aerosol. On neat NaBr solutions, the observed kinetics is consistent with bulk reaction-limited uptake, and a second-order rate constant for the reaction of O3 + Br(-) is 57 ± 10 M(-1) s(-1). On mixed NaBr-citric acid aqueous solutions, the uptake kinetics was faster than that predicted by bulk reaction-limited uptake and also faster than expected based on an acid-catalyzed mechanism. X-ray photoelectron spectroscopy (XPS) on a liquid microjet of the same solutions at 1.0 × 10(-3)-1.0 × 10(-4) mbar was used to obtain quantitative insight into the interfacial composition relative to that of the bulk solutions. It revealed that the bromide anion becomes depleted by 30 ± 10% while the sodium cation gets enhanced by 40 ± 20% at the aqueous solution-air interface of a 0.12 M NaBr solution mixed with 2.5 M citric acid in the bulk, attributed to the role of citric acid as a weak surfactant. Therefore, the enhanced reactivity of bromide solutions observed in the presence of citric acid is not necessarily attributable to a surface reaction but could also result from an increased solubility of ozone at higher citric acid concentrations. Whether the acid-catalyzed chemistry may have a larger effect on the surface than in the bulk to offset the effect of bromide depletion also remains open.

  16. The Einstein-Vlasov System/Kinetic Theory

    Directory of Open Access Journals (Sweden)

    Håkan Andréasson

    2002-12-01

    Full Text Available The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on nonrelativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. The Vlasov equation describes matter phenomenologically, and it should be stressed that most of the theorems presented in this article are not presently known for other such matter models (i.e., fluid models. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to good comprehension of kinetic theory in general relativity.

  17. Fenton-Like Oxidation of Malachite Green Solutions: Kinetic and Thermodynamic Study

    Directory of Open Access Journals (Sweden)

    Saeedeh Hashemian

    2013-01-01

    Full Text Available Oxidation by Fenton-like (Fe3+/H2O2 reactions is proven to be an economically feasible process for destruction of a variety of hazardous pollutants in wastewater. In this study, the degradation and mineralization of malachite green dye are reported using Fenton-like reaction. The effects of different parameters like pH of the solution, the initial concentrations of Fe3+, H2O2, and dye, temperature, and added electrolytes (Cl− and on the oxidation of the dye were investigated. Optimized condition was determined. The efficiency of 95.5% degradation of MAG after 15 minutes of reaction at pH 3 was obtained. TOC removal indicates partial and insignificant mineralization of malachite green dye. The results of experiments showed that degradation of malachite green dye in Fenton-like oxidation process can be described with a pseudo-second-order kinetic model. The thermodynamic constants of the Fenton oxidation process were evaluated. The results implied that the oxidation process was feasible, spontaneous, and endothermic. The results will be useful for designing the treatment systems of various dye-containing wastewaters.

  18. AKA-TPG: a program for kinetic and epidemiological analysis of data from labeled glucose investigations using the two-pool model and database technology

    DEFF Research Database (Denmark)

    Boston, Raymond C; Stefanovski, Darko; Henriksen, Jan E

    2007-01-01

    of technical reasons have deterred researchers from performing TPG analysis. METHODS AND RESULTS: In this paper, we describe AKA-TPG, a new program that combines automatic kinetic analysis of the TPG model data with database technologies. AKA-TPG enables researchers who have no expertise in modeling to quickly...... fit the TPG model to individual FSHGT data sets consisting of plasma concentrations of unlabeled glucose, labeled glucose, and insulin. Most importantly, because the entire process is automated, parameters are almost always identified, and parameter estimates are accurate and reproducible. AKA...

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

    Science.gov (United States)

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

    2017-10-01

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

  20. Kinetic-limited etching of magnesium doping nitrogen polar GaN in potassium hydroxide solution

    International Nuclear Information System (INIS)

    Jiang, Junyan; Zhang, Yuantao; Chi, Chen; Yang, Fan; Li, Pengchong; Zhao, Degang; Zhang, Baolin; Du, Guotong

    2016-01-01

    Graphical abstract: - Highlights: • Effects of Mg doping on wet etching of N-polar GaN are illustrated and analysed. • Etching process model of Mg-doped N-polar GaN in KOH solution is purposed. • It is found that Mg doping can induce tensile strain in N-polar GaN film. • N-polar p-GaN film with a hole concentration of 2.4 × 10"1"7 cm"−"3 is obtained. - Abstract: KOH based wet etchings were performed on both undoped and Mg-doped N-polar GaN films grown by metal-organic chemical vapor deposition. It is found that the etching rate for Mg-doped N-polar GaN gets slow obviously compared with undoped N-polar GaN. X-ray photoelectron spectroscopy analysis proved that Mg oxide formed on N-polar GaN surface is insoluble in KOH solution so that kinetic-limited etching occurs as the etching process goes on. The etching process model of Mg-doped N-polar GaN in KOH solution is tentatively purposed using a simplified ideal atomic configuration. Raman spectroscopy analysis reveals that Mg doping can induce tensile strain in N-polar GaN films. Meanwhile, p-type N-polar GaN film with a hole concentration of 2.4 × 10"1"7 cm"−"3 was obtained by optimizing bis-cyclopentadienyl magnesium flow rates.

  1. Kinetic-limited etching of magnesium doping nitrogen polar GaN in potassium hydroxide solution

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Junyan; Zhang, Yuantao; Chi, Chen; Yang, Fan; Li, Pengchong [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Qianjin Street 2699, Changchun 130012 (China); Zhao, Degang [State Key Laboratory on Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Science, PO Box 912, Beijing 100083 (China); Zhang, Baolin; Du, Guotong [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Qianjin Street 2699, Changchun 130012 (China)

    2016-01-01

    Graphical abstract: - Highlights: • Effects of Mg doping on wet etching of N-polar GaN are illustrated and analysed. • Etching process model of Mg-doped N-polar GaN in KOH solution is purposed. • It is found that Mg doping can induce tensile strain in N-polar GaN film. • N-polar p-GaN film with a hole concentration of 2.4 × 10{sup 17} cm{sup −3} is obtained. - Abstract: KOH based wet etchings were performed on both undoped and Mg-doped N-polar GaN films grown by metal-organic chemical vapor deposition. It is found that the etching rate for Mg-doped N-polar GaN gets slow obviously compared with undoped N-polar GaN. X-ray photoelectron spectroscopy analysis proved that Mg oxide formed on N-polar GaN surface is insoluble in KOH solution so that kinetic-limited etching occurs as the etching process goes on. The etching process model of Mg-doped N-polar GaN in KOH solution is tentatively purposed using a simplified ideal atomic configuration. Raman spectroscopy analysis reveals that Mg doping can induce tensile strain in N-polar GaN films. Meanwhile, p-type N-polar GaN film with a hole concentration of 2.4 × 10{sup 17} cm{sup −3} was obtained by optimizing bis-cyclopentadienyl magnesium flow rates.

  2. Kinetic studies for the use of fermented agricultural byproduct by fungi in removal of some toxic metals from their waste solutions

    International Nuclear Information System (INIS)

    Moloukhia, H.; Ouda, S.

    2010-01-01

    A new sorbent material has been developed that sesame stalks as agricultural byproduct which are available at very little or no cost was fermented by fungi to produce high quality sorbent material. Microbial biomass offers an economical option for removing heavy metals by the phenomenon of bio sorption. Fermented sesame stalks by the fungal biomass Aspergillus terreus (Thom), was tested for its ability to remove chromium and cadmium ions from waste solutions. Some significant parameters i.e., contact time, solution ph, mass of sorbent material and the effect of metal concentrations were investigated. Desorption studies were also performed. The kinetic of sorption was evaluated by applying the Lagergren equation. Results showed that the ph of the solution strongly affected the degree of bio sorption of metal ions by biomass. The metal ion sorption obeyed Freundlich isotherm. It was found that the exponent 1/n is in the range of 1> 1/n > 0, which signify that strong adsorptive forces are operative on the surface of the fermented sesame stalks by fungal biomass. The kinetics of sorption indicated that the removal of both chromium and cadmium ions from solution follows a first-order reaction with fast rate. It could be concluded that fermented sesame stalks by the fungal biomass Aspergillus terreus (Thom), can be considered as an economical alternative sorbent material for the removal of heavy metals from wastewater by the phenomenon of bio sorption

  3. Kinetics and mechanism of photoaccelerated isotope exchange between U(VI) and U(IV) in oxalate solutions

    International Nuclear Information System (INIS)

    Shaban, I.S.; Owreit, M.F.; Nikitenko, S.I.

    1992-01-01

    A kinetic study of thermal and photoaccelerated U(IV)-U(VI) isotope exchange has been carried out in oxalate solutions at 11-40 deg C. The rate and quantum yield were determined as a function of U(IV), U(VI) and oxalate concentration, wavelength of incident light, temperature and absorbed dose of γ-radiation. The kinetic equations for thermal and photoaccelerated exchange have been obtained. It was assumed that the mechanism of exchange involves formation of U(V) as an intermediate, followed by slow exchange between U(V) and U(IV). The isokinetic dependence confirms the identity of limiting stages for thermal and photostimulated exchange. The upper component of photoexcited T 1 level of uranyl is supposed to be the most reactive in the process of U(V) generation. It was observed that the small doses of γ-radiation evoke the acceleration of isotope exchange, however, at D>100 krad the rate of exchange is reduced to the level of thermal exchange. (author) 8 refs.; 4 figs.; 2 tabs

  4. Adsorption of cationic dye from aqueous solution by clay as an adsorbent: thermodynamic and kinetic studies

    International Nuclear Information System (INIS)

    Fil, B.A.; Ozmetn, C.

    2012-01-01

    In the study, montmorillonite was used as an adsorbent for the removal of methylene blue (MB) from aqueous solutions. Batch studies were performed to address various experimental parameters like contact time, pH, temperature, stirring speed, ionic strength, adsorbent dosage and initial concentration for the removal of this dye. Adsorption rate increased with the increase in initial dye concentration, ionic strength, stirring speed, pH and temperature. Kinetic study showed that the adsorption of dye on montmorillonite was a gradual process. Quasi-equilibrium reached in 3 h. Pseudo-first-order, pseudo-second-order, Elovich, Bangham, mass transfer and intra-particle particle diffusion models were used to fit the experimental data. Pseudo-second-order rate equation was able to provide realistic description of adsorption kinetics. Intra-particle diffusion process was identified as the main mechanism controlling the rate of the dye sorption. The diffusion coefficient, D, was found to increase when the stirring speed, ionic strength and temperature were raised. Thermodynamic activation parameters such as delt G, delt S and del H were also calculated. (author)

  5. Addition and elimination kinetics in OH radical induced oxidation of phenol and cresols in acidic and alkaline solutions

    International Nuclear Information System (INIS)

    Roder, M.; Wojnarovits, L.; Foeldiak, G.; Emmi, S.S.; Beggiato, G.; D'Angelantonio, M.

    1999-01-01

    The rates of the two consecutive reactions, OH radical addition and H 2 O/OH - elimination, were studied by pulse radiolysis in highly acidic (pH=1.3-1.9) and alkaline (pH∼11) solutions, respectively, for phenol and for the three cresol isomers. The rate coefficient of the addition as measured by the build-up of phenoxyl radical absorbance and by a competitive method is the same (1.4±0.1)x10 10 mol -1 dm 3 s -1 both in acidic and alkaline solution. The rate coefficient of the H 2 O elimination in acidic solution is (1.6±0.2)x10 6 s -1 , whereas the coefficient of the OH - elimination in alkaline solutions is 6-8 times higher. The kinetics of the phenoxyl radical formation was described by the two-exponential equation of the consecutive reactions: the first exponential is related to the pseudo-first-order addition, while the second to the elimination reaction. No considerable structure dependence was found in the rate coefficients, indicating that the methyl substitutent in these highly acidic or alkaline solutions influences neither the addition nor the elimination rate

  6. Examples how to use atomic and molecular databases

    International Nuclear Information System (INIS)

    Murakami, Izumi

    2012-01-01

    As examples how to use atomic and molecular databases, atomic spectra database (ASD) and molecular chemical kinetics database of National Institute of Standards and Technology (NIST), collision cross sections of National Institute of Fusion Science (NIFS), Open-Atomic Data and Analysis Structure (ADAS) and chemical reaction rate coefficients of GRI-Mech were presented. Sorting method differed in each database and several options were prepared. Atomic wavelengths/transition probabilities and electron collision ionization, excitation and recombination cross sections/rate coefficients were simply searched with just specifying atom or ion using a general internet search engine (GENIE) of IAEA. (T. Tanaka)

  7. Uptake kinetics of arsenic by lettuce cultivars under hydroponics ...

    African Journals Online (AJOL)

    Arsenic (As) uptake ability based on kinetic parameters by two lettuce cultivars; Sijibaiye (SJBY) and Texuanyanlingsun (TXYLS) was investigated in nutrient solution containing eight levels of arsenic (As). Depletion of As from solution was monitored over a period of 24 h at regular time to estimate As uptake kinetics of the ...

  8. Coordinating Mobile Databases: A System Demonstration

    OpenAIRE

    Zaihrayeu, Ilya; Giunchiglia, Fausto

    2004-01-01

    In this paper we present the Peer Database Management System (PDBMS). This system runs on top of the standard database management system, and it allows it to connect its database with other (peer) databases on the network. A particularity of our solution is that PDBMS allows for conventional database technology to be effectively operational in mobile settings. We think of database mobility as a database network, where databases appear and disappear spontaneously and their network access point...

  9. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    International Nuclear Information System (INIS)

    Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.

    2006-01-01

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model

  10. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)

    2006-05-15

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.

  11. Reactor kinetics revisited: a coefficient based model (CBM)

    International Nuclear Information System (INIS)

    Ratemi, W.M.

    2011-01-01

    In this paper, a nuclear reactor kinetics model based on Guelph expansion coefficients calculation ( Coefficients Based Model, CBM), for n groups of delayed neutrons is developed. The accompanying characteristic equation is a polynomial form of the Inhour equation with the same coefficients of the CBM- kinetics model. Those coefficients depend on Universal abc- values which are dependent on the type of the fuel fueling a nuclear reactor. Furthermore, such coefficients are linearly dependent on the inserted reactivity. In this paper, the Universal abc- values have been presented symbolically, for the first time, as well as with their numerical values for U-235 fueled reactors for one, two, three, and six groups of delayed neutrons. Simulation studies for constant and variable reactivity insertions are made for the CBM kinetics model, and a comparison of results, with numerical solutions of classical kinetics models for one, two, three, and six groups of delayed neutrons are presented. The results show good agreements, especially for single step insertion of reactivity, with the advantage of the CBM- solution of not encountering the stiffness problem accompanying the numerical solutions of the classical kinetics model. (author)

  12. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    Energy Technology Data Exchange (ETDEWEB)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

  13. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    International Nuclear Information System (INIS)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations

  14. Morphogenesis of Kinetic Reciprocal Frames

    DEFF Research Database (Denmark)

    Parigi, Dario; Sassone, Mario

    2011-01-01

    Kinetic structures in civil engineering and architecture gained considerable more attention in the very recent years as a practical solution to face time dependant performances. Realized projects are mostly bridges, retractable roofs, while in architecture the trend follows the category of intera......Kinetic structures in civil engineering and architecture gained considerable more attention in the very recent years as a practical solution to face time dependant performances. Realized projects are mostly bridges, retractable roofs, while in architecture the trend follows the category...... (RF) were studied in the past as a practical solution to span distances with shorter elements. Leonardo da Vinci discovered interesting RF patterns and studied three dimensional arch structures for bridges. RF are generally defined as structures that forms closed circuits of forces, and where elements...

  15. 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)

  16. The solution of the neutron point kinetics equation with stochastic extension: an analysis of two moments

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Milena Wollmann da; Vilhena, Marco Tullio M.B.; Bodmann, Bardo Ernst J.; Vasques, Richard, E-mail: milena.wollmann@ufrgs.br, E-mail: vilhena@mat.ufrgs.br, E-mail: bardobodmann@ufrgs.br, E-mail: richard.vasques@fulbrightmail.org [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica

    2015-07-01

    The neutron point kinetics equation, which models the time-dependent behavior of nuclear reactors, is often used to understand the dynamics of nuclear reactor operations. It consists of a system of coupled differential equations that models the interaction between (i) the neutron population; and (II) the concentration of the delayed neutron precursors, which are radioactive isotopes formed in the fission process that decay through neutron emission. These equations are deterministic in nature, and therefore can provide only average values of the modeled populations. However, the actual dynamical process is stochastic: the neutron density and the delayed neutron precursor concentrations vary randomly with time. To address this stochastic behavior, Hayes and Allen have generalized the standard deterministic point kinetics equation. They derived a system of stochastic differential equations that can accurately model the random behavior of the neutron density and the precursor concentrations in a point reactor. Due to the stiffness of these equations, this system was numerically implemented using a stochastic piecewise constant approximation method (Stochastic PCA). Here, we present a study of the influence of stochastic fluctuations on the results of the neutron point kinetics equation. We reproduce the stochastic formulation introduced by Hayes and Allen and compute Monte Carlo numerical results for examples with constant and time-dependent reactivity, comparing these results with stochastic and deterministic methods found in the literature. Moreover, we introduce a modified version of the stochastic method to obtain a non-stiff solution, analogue to a previously derived deterministic approach. (author)

  17. The solution of the neutron point kinetics equation with stochastic extension: an analysis of two moments

    International Nuclear Information System (INIS)

    Silva, Milena Wollmann da; Vilhena, Marco Tullio M.B.; Bodmann, Bardo Ernst J.; Vasques, Richard

    2015-01-01

    The neutron point kinetics equation, which models the time-dependent behavior of nuclear reactors, is often used to understand the dynamics of nuclear reactor operations. It consists of a system of coupled differential equations that models the interaction between (i) the neutron population; and (II) the concentration of the delayed neutron precursors, which are radioactive isotopes formed in the fission process that decay through neutron emission. These equations are deterministic in nature, and therefore can provide only average values of the modeled populations. However, the actual dynamical process is stochastic: the neutron density and the delayed neutron precursor concentrations vary randomly with time. To address this stochastic behavior, Hayes and Allen have generalized the standard deterministic point kinetics equation. They derived a system of stochastic differential equations that can accurately model the random behavior of the neutron density and the precursor concentrations in a point reactor. Due to the stiffness of these equations, this system was numerically implemented using a stochastic piecewise constant approximation method (Stochastic PCA). Here, we present a study of the influence of stochastic fluctuations on the results of the neutron point kinetics equation. We reproduce the stochastic formulation introduced by Hayes and Allen and compute Monte Carlo numerical results for examples with constant and time-dependent reactivity, comparing these results with stochastic and deterministic methods found in the literature. Moreover, we introduce a modified version of the stochastic method to obtain a non-stiff solution, analogue to a previously derived deterministic approach. (author)

  18. Solution of the neutron point kinetics equations with temperature feedback effects applying the polynomial approach method

    International Nuclear Information System (INIS)

    Tumelero, Fernanda; Petersen, Claudio Z.; Goncalves, Glenio A.; Lazzari, Luana

    2015-01-01

    In this work, we present a solution of the Neutron Point Kinetics Equations with temperature feedback effects applying the Polynomial Approach Method. For the solution, we consider one and six groups of delayed neutrons precursors with temperature feedback effects and constant reactivity. The main idea is to expand the neutron density, delayed neutron precursors and temperature as a power series considering the reactivity as an arbitrary function of the time in a relatively short time interval around an ordinary point. In the first interval one applies the initial conditions of the problem and the analytical continuation is used to determine the solutions of the next intervals. With the application of the Polynomial Approximation Method it is possible to overcome the stiffness problem of the equations. In such a way, one varies the time step size of the Polynomial Approach Method and performs an analysis about the precision and computational time. Moreover, we compare the method with different types of approaches (linear, quadratic and cubic) of the power series. The answer of neutron density and temperature obtained by numerical simulations with linear approximation are compared with results in the literature. (author)

  19. Solution of the neutron point kinetics equations with temperature feedback effects applying the polynomial approach method

    Energy Technology Data Exchange (ETDEWEB)

    Tumelero, Fernanda, E-mail: fernanda.tumelero@yahoo.com.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica; Petersen, Claudio Z.; Goncalves, Glenio A.; Lazzari, Luana, E-mail: claudiopeteren@yahoo.com.br, E-mail: gleniogoncalves@yahoo.com.br, E-mail: luana-lazzari@hotmail.com [Universidade Federal de Pelotas (DME/UFPEL), Capao do Leao, RS (Brazil). Instituto de Fisica e Matematica

    2015-07-01

    In this work, we present a solution of the Neutron Point Kinetics Equations with temperature feedback effects applying the Polynomial Approach Method. For the solution, we consider one and six groups of delayed neutrons precursors with temperature feedback effects and constant reactivity. The main idea is to expand the neutron density, delayed neutron precursors and temperature as a power series considering the reactivity as an arbitrary function of the time in a relatively short time interval around an ordinary point. In the first interval one applies the initial conditions of the problem and the analytical continuation is used to determine the solutions of the next intervals. With the application of the Polynomial Approximation Method it is possible to overcome the stiffness problem of the equations. In such a way, one varies the time step size of the Polynomial Approach Method and performs an analysis about the precision and computational time. Moreover, we compare the method with different types of approaches (linear, quadratic and cubic) of the power series. The answer of neutron density and temperature obtained by numerical simulations with linear approximation are compared with results in the literature. (author)

  20. Passivation kinetics of Mg-Nd-Gd-Zn-Zr (EV31A and Mg-Y-Nd-Gd-Zr (WE43C in NaOH solutions

    Directory of Open Access Journals (Sweden)

    Jakraphan Ninlachart

    2017-09-01

    Full Text Available Passivation kinetics of two Mg-RE alloys, such as Mg-Nd-Gd-Zn-Zr (EV31A, and Mg-Y-Nd-Gd-Zr (WE43C were investigated in two different heat treated conditions (solution treated and overaged in 0.01 - 1.0 M NaOH solutions under potentiostatic conditions. Negative reaction order was observed in dilute NaOH which transitioned to positive values as the passivation time increased and in the 1 M NaOH as well. The passive layers showed platelet morphology and the size of the platelets decreased with increase in the NaOH concentration. The hydrogen evolution reaction (HER kinetics was not improved on the passive layer covered surface of the Mg-RE alloys in contrast to the improvements reported on the hydroxide covered pure magnesium. The electrochemical impedance increased with increase in the NaOH concentration in the solution treated condition of both Mg-RE alloys, whereas the overaged EV31A alloy showed a reverse trend. The passive layer of EV31A showed almost 100% higher charge carrier density than the film formed on the WE43C in the overaged condition. A better passivation behavior was observed in the solution treated condition than that in the overaged condition which could be attributed to the uniform distribution of the RE elements in the solution treated specimens. The WE43C alloy revealed better corrosion resistance in the alkaline solution than the EV31A alloy.

  1. Deposition and release kinetics of nano-TiO2 in saturated porous media: Effects of solution ionic strength and surfactants

    International Nuclear Information System (INIS)

    Godinez, Itzel G.; Darnault, Christophe J.G.; Khodadoust, Amid P.; Bogdan, Dorin

    2013-01-01

    The aggregation, transport and deposition kinetics (i.e. attachment and release) of TiO 2 nanoparticles (nano-TiO 2 ) were investigated as a function of ionic strength and the presence of anionic (sodium dodecylbenzene sulfonate, SDBS) and non-ionic (Triton X-100) surfactants in 100% critical micelle concentration (CMC). The electrolyte concentration of the suspensions dictated the kinetic stability of nano-TiO 2 thus influencing the transport and retention of the nanoaggregates in the saturated porous medium. With increasing ionic strength, the interaction between approaching nano-TiO 2 and nano-TiO 2 already deposited onto collectors surfaces seemed to be more favorable than the interaction between approaching nano-TiO 2 and bare collectors surfaces. The abrupt and gradual reduction in electrolyte concentration during the flushing cycles of the column experiments induced the release of previously deposited nano-TiO 2 suggesting attachment of nano-TiO 2 through secondary energy minimum. Highlights: ► This study focuses on aggregation, transport and deposition kinetics of nano-TiO 2 . ► Ionic strength and surfactants impact nano-TiO 2 transport in saturated porous media. ► Previously deposited nano-TiO 2 serve as preferential sites for subsequent deposition. ► Changes in solution chemistry cause nanodeposits to release a portion of nano-TiO 2 . -- Previously deposited nano-TiO 2 serve as preferential sites for subsequent deposition and changes in solution chemistry cause nanodeposits to release a portion of nano-TiO 2

  2. Mechanism and kinetic considerations of TOC removal from the powdered activated carbon ozonation of diclofenac aqueous solutions.

    Science.gov (United States)

    Beltrán, Fernando J; Pocostales, J Pablo; Alvarez, Pedro M; Jaramillo, Josefa

    2009-09-30

    Ozonation of DCF in aqueous solution in the presence of powdered activated carbon (PAC) has been studied for mechanistic and kinetic purposes. The effects of gas flow rate, ozone gas concentration and initial TOC on the TOC elimination rate were then investigated. The use of PAC allows liquid-solid and internal diffusion mass transfer resistances being eliminated. Gas-liquid mass transfer resistance is also eliminated when ozonation is applied to DCF preozonated solutions. In the absence of mass transfer resistances a mechanism of reactions involving homogeneous and heterogeneous steps for TOC removal was proposed. From this mechanism a mathematical model constituted by mass balances of main species in water was established. Considerations about the changing nature of ozonation intermediates, as being promoters or inhibitors of ozone decomposition, is a key point to better predict the experimental concentrations of species present in this system.

  3. Diffusion Influenced Adsorption Kinetics.

    Science.gov (United States)

    Miura, Toshiaki; Seki, Kazuhiko

    2015-08-27

    When the kinetics of adsorption is influenced by the diffusive flow of solutes, the solute concentration at the surface is influenced by the surface coverage of solutes, which is given by the Langmuir-Hinshelwood adsorption equation. The diffusion equation with the boundary condition given by the Langmuir-Hinshelwood adsorption equation leads to the nonlinear integro-differential equation for the surface coverage. In this paper, we solved the nonlinear integro-differential equation using the Grünwald-Letnikov formula developed to solve fractional kinetics. Guided by the numerical results, analytical expressions for the upper and lower bounds of the exact numerical results were obtained. The upper and lower bounds were close to the exact numerical results in the diffusion- and reaction-controlled limits, respectively. We examined the validity of the two simple analytical expressions obtained in the diffusion-controlled limit. The results were generalized to include the effect of dispersive diffusion. We also investigated the effect of molecular rearrangement of anisotropic molecules on surface coverage.

  4. Kinetics of the exchange between fibrous manganese dioxide and Mn2+ ions in solution

    International Nuclear Information System (INIS)

    Rophael, M.W.

    1983-01-01

    The rate of exchange between fibrous manganese dioxide epsilon-MnO 2 and a 0.1 M MnSO 4 solution at 25 0 C and pH 2.0 was higher than the corresponding rate at pH 5.4. When the solid was washed with dilute acid (pH 2.0) before the exchange at pH 2.0, the results of the exchange at the two pH values were similar. When epsilon-MnO 2 was partially reduced with N 2 H 4 .H 2 O solution before the exchange, the rate of exchange was appreciably higher than that obtained for the unreduced solid. The exchange, at nearly pH 2.0, between epsilon-MnO 2 and various concentrations of Mn(NO 3 ) 2 solutions was increased to a small extent as the concentration increased tenfold. The exchange was followed by using 56 Mn-labelled MnO 2 and by measuring the β activity acquired by the Mn 2+ ion solution. The activity induced in the solid MnO 2 was produced by irradiation with thermal neutrons from a 241 Am- 9 Be laboratory neutron source. The neutron activation of manganese oxides has the following advantages: (i) a relatively high level of activity can be induced in the 55 Mn of the irradiated oxide because of its 100% abundance and its high neutron activation cross section, whereas the oxygen is unaffected; (ii) the half-life of the product 56 Mn is 9274 s which is convenient for kinetic studies; (iii) the activity produced almost decays in 24 h. (Auth.)

  5. Mechanism and Kinetics for the Dissolution of Apatitic Materials in Acid Solutions

    Directory of Open Access Journals (Sweden)

    Calmanovici C.E.

    1997-01-01

    Full Text Available Abstract - This work concerns the study of the digestion step in the production process of phosphoric acid. Some qualitative experiments indicate that the difference between the pH at the surface of the phosphate and that in the bulk of the solution is negligible and that the dissolution is controlled by diffusion of products away from the phosphate particle. In further experiments, to isolate the dissolution phenomenon from the formation of calcium sulfate, the sulfuric acid normally used industrially is replaced by hydrochloric acid. The phosphate material used in our experiments is a model apatitic material: synthetic hydroxyapatite (HAP. The dissolution of calcium hydroxyapatite was studied with increasing amounts of calcium and phosphate at different temperatures. A simple method was developed for this observation based on the time required for complete dissolution of the HAP powder. The results confirm that the dissolution is controlled by a diffusional process through an interface of calcium and phosphate ions released from the solid surface. A kinetic model for the dissolution of apatitic materials is proposed which assumes a shrinking particle behaviour controlled by diffusion of calcium ions. The experimental results are fitted to this model to determine the mass transfer constant for HAP dissolution in acid solutions. The activation energy of the reaction is about 14kJ/mol. This study was carried on in conditions similar to the industrial ones for the production of phosphoric acid by the dihydrate-process

  6. Adsorption of reactive dye from an aqueous solution by chitosan: isotherm, kinetic and thermodynamic analysis

    International Nuclear Information System (INIS)

    Annadurai, Gurusamy; Ling, L.Y.; Lee, J.-F.

    2008-01-01

    The adsorption of Remazol black 13 (Reactive) dye onto chitosan in aqueous solutions was investigated. Experiments were carried out as function of contact time, initial dye concentration (100-300 mg/L), particle size (0.177, 0.384, 1.651 mm), pH (6.7-9.0), and temperature (30-60 deg. C). The equilibrium adsorption data of reactive dye on chitosan were analyzed by Langmuir and Freundlich models. The maximum adsorption capacity (q m ) has been found to be 91.47-130.0 mg/g. The amino group nature of the chitosan provided reasonable dye removal capability. The kinetics of reactive dye adsorption nicely followed the pseudo-first and second-order rate expression which demonstrates that intraparticle diffusion plays a significant role in the adsorption mechanism. Isotherms have also been used to obtain the thermodynamic parameters such as free energy, enthalpy and entropy of adsorption. The positive value of the enthalpy change (0.212 kJ/mol) indicated that the adsorption is endothermic process. The results indicate that chitosan is suitable as adsorbent material for adsorption of reactive dye form aqueous solutions

  7. Structural insights into the cubic-hexagonal phase transition kinetics of monoolein modulated by sucrose solutions.

    Science.gov (United States)

    Reese, Caleb W; Strango, Zachariah I; Dell, Zachary R; Tristram-Nagle, Stephanie; Harper, Paul E

    2015-04-14

    Using DSC (differential scanning calorimetry), we measure the kinetics of the cubic-HII phase transition of monoolein in bulk sucrose solutions. We find that the transition temperature is dramatically lowered, with each 1 mol kg(-1) of sucrose concentration dropping the transition by 20 °C. The kinetics of this transition also slow greatly with increasing sucrose concentration. For low sucrose concentrations, the kinetics are asymmetric, with the cooling (HII-cubic) transition taking twice as long as the heating (cubic-HII) transition. This asymmetry in transition times is reduced for higher sucrose concentrations. The cooling transition exhibits Avrami exponents in the range of 2 to 2.5 and the heating transition shows Avrami exponents ranging from 1 to 3. A classical Avrami interpretation would be that these processes occur via a one or two dimensional pathway with variable nucleation rates. A non-classical perspective would suggest that these exponents reflect the time dependence of pore formation (cooling) and destruction (heating). New density measurements of monoolein show that the currently accepted value is about 5% too low; this has substantial implications for electron density modeling. Structural calculations indicate that the head group area and lipid length in the cubic-HII transition shrink by about 12% and 4% respectively; this reduction is practically the same as that seen in a lipid with a very different molecular structure (rac-di-12:0 β-GlcDAG) that makes the same transition. Thermodynamic considerations suggest there is a hydration shell about one water molecule thick in front of the lipid head groups in both the cubic and HII phases.

  8. Analytical representation for solution of the neutron point kinetics equation with time-dependent reactivity and free of the stiffness character

    International Nuclear Information System (INIS)

    Silva, Milena Wollmann da

    2013-01-01

    In this work, we report a genuine analytical representation for the solution of the neutron point kinetics equation free of the stiffness character, assuming that the reactivity is a continuous and sectionally continuous function of time. To this end, we initially cast the point kinetics equation in a first order linear differential equation. Next, we split the corresponding matrix as a sum of a diagonal matrix with a matrix, whose components contain the off-diagonal elements. Next, expanding the neutron density and the delayed neutron precursors concentrations in a truncated series, and replacing these expansions in the matrix equation, we come out with an equation, which allows to construct a recursive system, a first order matrix differential equation with source. The fundamental characteristic of this system relies on the fact that the corresponding matrix is diagonal, meanwhile the source term is written in terms of the matrix with the off-diagonal components. Further, the first equation of the recursive system has no source and satisfies the initial conditions. On the other hand, the remaining equations satisfy the null initial condition. Due to the diagonal feature of the matrix, we attain analytical solutions for these recursive equations. We also mention that we evaluate the results for any time value, without the analytical continuity because the purposed solution is free on the stiffness character. Finally, we present numerical simulations and comparisons against literature results, considering specific the applications for the following reactivity functions: constant, step, ramp, and sine. (author)

  9. Removal of Pb(II) ions from aqueous solution by a waste mud from copper mine industry: equilibrium, kinetic and thermodynamic study.

    Science.gov (United States)

    Ozdes, Duygu; Gundogdu, Ali; Kemer, Baris; Duran, Celal; Senturk, Hasan Basri; Soylak, Mustafa

    2009-07-30

    The objective of this study was to assess the adsorption potential of a waste mud (WM) for the removal of lead (Pb(II)) ions from aqueous solutions. The WM was activated with NaOH in order to increase its adsorption capacity. Adsorption studies were conducted in a batch system as a function of solution pH, contact time, initial Pb(II) concentration, activated-waste mud (a-WM) concentration, temperature, etc. Optimum pH was specified as 4.0. The adsorption kinetic studies indicated that the overall adsorption process was best described by pseudo-second-order kinetics. The equilibrium adsorption capacity of a-WM was obtained by using Langmuir and Freundlich isotherm models and both models fitted well. Adsorption capacity for Pb(II) was found to be 24.4 mg g(-1) for 10 g L(-1) of a-WM concentration. Thermodynamic parameters including the Gibbs free energy (Delta G degrees), enthalpy (Delta H degrees), and entropy (DeltaS degrees) indicated that the adsorption of Pb(II) ions on the a-WM was feasible, spontaneous and endothermic, at temperature range of 0-40 degrees C. Desorption studies were carried out successfully with diluted HCl solutions. The results indicate that a-WM can be used as an effective and no-cost adsorbent for the treatment of industrial wastewaters contaminated with Pb(II) ions.

  10. Removal of Pb(II) ions from aqueous solution by a waste mud from copper mine industry: Equilibrium, kinetic and thermodynamic study

    International Nuclear Information System (INIS)

    Ozdes, Duygu; Gundogdu, Ali; Kemer, Baris; Duran, Celal; Senturk, Hasan Basri; Soylak, Mustafa

    2009-01-01

    The objective of this study was to assess the adsorption potential of a waste mud (WM) for the removal of lead (Pb(II)) ions from aqueous solutions. The WM was activated with NaOH in order to increase its adsorption capacity. Adsorption studies were conducted in a batch system as a function of solution pH, contact time, initial Pb(II) concentration, activated-waste mud (a-WM) concentration, temperature, etc. Optimum pH was specified as 4.0. The adsorption kinetic studies indicated that the overall adsorption process was best described by pseudo-second-order kinetics. The equilibrium adsorption capacity of a-WM was obtained by using Langmuir and Freundlich isotherm models and both models fitted well. Adsorption capacity for Pb(II) was found to be 24.4 mg g -1 for 10 g L -1 of a-WM concentration. Thermodynamic parameters including the Gibbs free energy (ΔG o ), enthalpy (ΔH o ), and entropy (ΔS o ) indicated that the adsorption of Pb(II) ions on the a-WM was feasible, spontaneous and endothermic, at temperature range of 0-40 o C. Desorption studies were carried out successfully with diluted HCl solutions. The results indicate that a-WM can be used as an effective and no-cost adsorbent for the treatment of industrial wastewaters contaminated with Pb(II) ions.

  11. Removal of Pb(II) ions from aqueous solution by a waste mud from copper mine industry: Equilibrium, kinetic and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Ozdes, Duygu; Gundogdu, Ali; Kemer, Baris; Duran, Celal; Senturk, Hasan Basri [Department of Chemistry, Karadeniz Technical University, Faculty of Arts and Sciences, 61080 Trabzon (Turkey); Soylak, Mustafa, E-mail: soylak@erciyes.edu.tr [Department of Chemistry, Erciyes University, Faculty of Arts and Sciences, 38039 Kayseri (Turkey)

    2009-07-30

    The objective of this study was to assess the adsorption potential of a waste mud (WM) for the removal of lead (Pb(II)) ions from aqueous solutions. The WM was activated with NaOH in order to increase its adsorption capacity. Adsorption studies were conducted in a batch system as a function of solution pH, contact time, initial Pb(II) concentration, activated-waste mud (a-WM) concentration, temperature, etc. Optimum pH was specified as 4.0. The adsorption kinetic studies indicated that the overall adsorption process was best described by pseudo-second-order kinetics. The equilibrium adsorption capacity of a-WM was obtained by using Langmuir and Freundlich isotherm models and both models fitted well. Adsorption capacity for Pb(II) was found to be 24.4 mg g{sup -1} for 10 g L{sup -1} of a-WM concentration. Thermodynamic parameters including the Gibbs free energy ({Delta}G{sup o}), enthalpy ({Delta}H{sup o}), and entropy ({Delta}S{sup o}) indicated that the adsorption of Pb(II) ions on the a-WM was feasible, spontaneous and endothermic, at temperature range of 0-40 {sup o}C. Desorption studies were carried out successfully with diluted HCl solutions. The results indicate that a-WM can be used as an effective and no-cost adsorbent for the treatment of industrial wastewaters contaminated with Pb(II) ions.

  12. Fast kinetics of calcium dissociation from calsequestrin

    Directory of Open Access Journals (Sweden)

    MARIANELA BELTRÁN

    2006-01-01

    Full Text Available We measured the kinetics of calcium dissociation from calsequestrin in solution or forming part of isolated junctional sarcoplasmic reticulum membranes by mixing calsequestrin equilibrated with calcium with calcium-free solutions in a stopped-flow system. In parallel, we measured the kinetics of the intrinsic fluorescence changes that take place following calcium dissociation from calsequestrin. We found that at 25ºC calcium dissociation was 10-fold faster for calsequestrin attached to junctional membranes (k = 109 s-1 than in solution. These results imply that calcium dissociation from calsequestrin in vivo is not rate limiting during excitation-contraction coupling. In addition, we found that the intrinsic fluorescence decrease for calsequestrin in solution or forming part of junctional membranes was significantly slower than the rates of calcium dissociation. The kinetics of intrinsic fluorescence changes had two components for calsequestrin associated to junctional membranes and only one for calsequestrin in solution; the faster component was 8-fold faster (k = 54.1 s-1 than the slower component (k = 6.9 s-1, which had the same k value as for calsequestrin in solution. These combined results suggest that the presence of calsequestrin at high concentrations in a restricted space, such as when bound to the junctional membrane, accelerates calcium dissociation and the resulting structural changes, presumably as a result of cooperative molecular interactions.

  13. Kinetic modeling of cell metabolism for microbial production.

    Science.gov (United States)

    Costa, Rafael S; Hartmann, Andras; Vinga, Susana

    2016-02-10

    Kinetic models of cellular metabolism are important tools for the rational design of metabolic engineering strategies and to explain properties of complex biological systems. The recent developments in high-throughput experimental data are leading to new computational approaches for building kinetic models of metabolism. Herein, we briefly survey the available databases, standards and software tools that can be applied for kinetic models of metabolism. In addition, we give an overview about recently developed ordinary differential equations (ODE)-based kinetic models of metabolism and some of the main applications of such models are illustrated in guiding metabolic engineering design. Finally, we review the kinetic modeling approaches of large-scale networks that are emerging, discussing their main advantages, challenges and limitations. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Equilibrium, kinetic and thermodynamic studies of adsorption of Pb(II) from aqueous solution onto Turkish kaolinite clay

    International Nuclear Information System (INIS)

    Sari, Ahmet; Tuzen, Mustafa; Citak, Demirhan; Soylak, Mustafa

    2007-01-01

    The adsorption of Pb(II) onto Turkish (Bandirma region) kaolinite clay was examined in aqueous solution with respect to the pH, adsorbent dosage, contact time, and temperature. The linear Langmuir and Freundlich models were applied to describe equilibrium isotherms and both models fitted well. The monolayer adsorption capacity was found as 31.75 mg/g at pH 5 and 20 deg. C. Dubinin-Radushkevich (D-R) isotherm model was also applied to the equilibrium data. The mean free energy of adsorption (13.78 kJ/mol) indicated that the adsorption of Pb(II) onto kaolinite clay may be carried out via chemical ion-exchange mechanism. Thermodynamic parameters, free energy (ΔG o ), enthalpy (ΔH o ) and entropy (ΔS o ) of adsorption were also calculated. These parameters showed that the adsorption of Pb(II) onto kaolinite clay was feasible, spontaneous and exothermic process in nature. Furthermore, the Lagergren-first-order, pseudo-second-order and the intraparticle diffusion models were used to describe the kinetic data. The experimental data fitted well the pseudo-second-order kinetics

  15. SABIO-RK: an updated resource for manually curated biochemical reaction kinetics

    Science.gov (United States)

    Rey, Maja; Weidemann, Andreas; Kania, Renate; Müller, Wolfgang

    2018-01-01

    Abstract SABIO-RK (http://sabiork.h-its.org/) is a manually curated database containing data about biochemical reactions and their reaction kinetics. The data are primarily extracted from scientific literature and stored in a relational database. The content comprises both naturally occurring and alternatively measured biochemical reactions and is not restricted to any organism class. The data are made available to the public by a web-based search interface and by web services for programmatic access. In this update we describe major improvements and extensions of SABIO-RK since our last publication in the database issue of Nucleic Acid Research (2012). (i) The website has been completely revised and (ii) allows now also free text search for kinetics data. (iii) Additional interlinkages with other databases in our field have been established; this enables users to gain directly comprehensive knowledge about the properties of enzymes and kinetics beyond SABIO-RK. (iv) Vice versa, direct access to SABIO-RK data has been implemented in several systems biology tools and workflows. (v) On request of our experimental users, the data can be exported now additionally in spreadsheet formats. (vi) The newly established SABIO-RK Curation Service allows to respond to specific data requirements. PMID:29092055

  16. Kinetic Theory of the Inner Magnetospheric Plasma

    CERN Document Server

    Khazanov, George V

    2011-01-01

    This book provides a broad introduction to the kinetic theory of space plasma physics with the major focus on the inner magnetospheric plasma. It is designed to provide a comprehensive description of the different kinds of transport equations for both plasma particles and waves with an emphasis on the applicability and limitations of each set of equations. The major topics are: Kinetic Theory of Superthermal Electrons, Kinetic Foundation of the Hydrodynamic Description of Space Plasmas (including wave-particle interaction processes), and Kinetic Theory of the Terrestrial Ring Current. Distinguishable features of this book are the analytical solutions of simplified transport equations. Approximate analytic solutions of transport phenomena are very useful because they help us gain physical insight into how the system responds to varying sources of mass, momentum and energy and also to various external boundary conditions. They also provide us a convenient method to test the validity of complicated numerical mod...

  17. A Sustainable Spacecraft Component Database Solution, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerous spacecraft component databases have been developed to support NASA, DoD, and contractor design centers and design tools. Despite the clear utility of...

  18. Integration of Oracle and Hadoop: Hybrid Databases Affordable at Scale

    Science.gov (United States)

    Canali, L.; Baranowski, Z.; Kothuri, P.

    2017-10-01

    This work reports on the activities aimed at integrating Oracle and Hadoop technologies for the use cases of CERN database services and in particular on the development of solutions for offloading data and queries from Oracle databases into Hadoop-based systems. The goal and interest of this investigation is to increase the scalability and optimize the cost/performance footprint for some of our largest Oracle databases. These concepts have been applied, among others, to build offline copies of CERN accelerator controls and logging databases. The tested solution allows to run reports on the controls data offloaded in Hadoop without affecting the critical production database, providing both performance benefits and cost reduction for the underlying infrastructure. Other use cases discussed include building hybrid database solutions with Oracle and Hadoop, offering the combined advantages of a mature relational database system with a scalable analytics engine.

  19. Recovery of nickel and cobalt as MHP from limonitic ore leaching solution: Kinetics analysis and precipitate characterization

    Science.gov (United States)

    Safitri, Nina; Mubarok, M. Zaki; Winarko, Ronny; Tanlega, Zela

    2018-05-01

    In the present study, precipitation of nickel and cobalt as mixed hydroxide precipitate (MHP) from pregnant leach solution of nickel limonite ore from Soroako after iron removal stage was carried out. A series of MHP precipitation experiments was conducted by using MgO slurry as neutralizing agent and the effects of pH, temperature, duration of precipitation and the addition of MHP seed on the precipitation behavior of nickel, cobalt, as well as iron and manganese was studied. Characterization of MHP product was performed by particle size analyzer (PSA) as well as X-Ray Fluorescence (XRF), X-Ray Diffractometer (XRD) and Scanning Electron Microscope (SEM) analyses. Kinetics analysis was made by using differential-integral method for the rate of homogenous reaction. Precipitation at pH 7, temperature 50°C for 30 minute, without seed addition resulted in nickel and cobalt recoveries of 82.8% and 92%, respectively with co-precipitated iron and manganese of 70% and 24.2%, respectively. The seed addition increases nickel and cobalt precipitations significantly to 99.9% and 99.1%, respectively. However, the addition of seed into led to a significant increase of manganese co-precipitation from 24.2% without seed addition to 39.5% at the addition of 1 g seed per 200 mL of PLS. Kinetics analysis revealed that Ni precipitation to form MHP follows the second-order reaction kinetics with activation energy of 94.6 kJ/mol.

  20. Molecule database framework: a framework for creating database applications with chemical structure search capability.

    Science.gov (United States)

    Kiener, Joos

    2013-12-11

    Research in organic chemistry generates samples of novel chemicals together with their properties and other related data. The involved scientists must be able to store this data and search it by chemical structure. There are commercial solutions for common needs like chemical registration systems or electronic lab notebooks. However for specific requirements of in-house databases and processes no such solutions exist. Another issue is that commercial solutions have the risk of vendor lock-in and may require an expensive license of a proprietary relational database management system. To speed up and simplify the development for applications that require chemical structure search capabilities, I have developed Molecule Database Framework. The framework abstracts the storing and searching of chemical structures into method calls. Therefore software developers do not require extensive knowledge about chemistry and the underlying database cartridge. This decreases application development time. Molecule Database Framework is written in Java and I created it by integrating existing free and open-source tools and frameworks. The core functionality includes:•Support for multi-component compounds (mixtures)•Import and export of SD-files•Optional security (authorization)For chemical structure searching Molecule Database Framework leverages the capabilities of the Bingo Cartridge for PostgreSQL and provides type-safe searching, caching, transactions and optional method level security. Molecule Database Framework supports multi-component chemical compounds (mixtures).Furthermore the design of entity classes and the reasoning behind it are explained. By means of a simple web application I describe how the framework could be used. I then benchmarked this example application to create some basic performance expectations for chemical structure searches and import and export of SD-files. By using a simple web application it was shown that Molecule Database Framework

  1. Removal kinetics for gaseous NO and SO2by an aqueous NaClO2solution mist in a wet electrostatic precipitator

    KAUST Repository

    Park, Hyun-Woo; Park, Dong-Wha

    2016-01-01

    Removal kinetics for NO and SO2 by NaClO2 solution mist were investigated in a wet electrostatic precipitator. By varying the molar concentrations of NO, SO2, and NaClO2, the removal rates of NO and SO2 confirmed to range from 34.8 to 72.9 mmol/m3

  2. Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe-CuNiMnSi alloys

    International Nuclear Information System (INIS)

    Vincent, E.; Becquart, C.S.; Domain, C.

    2007-01-01

    The embrittlement of pressure vessel steels under radiation has been long ago correlated with the presence of Cu solutes. Other solutes such as Ni, Mn and Si are now suspected to contribute also to the embrittlement. The interactions of these solutes with radiation induced point defects thus need to be characterized properly in order to understand the elementary mechanisms behind the formation of the clusters formed upon radiation. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si) in order to build a database used to parameterise an atomic kinetic Monte Carlo model. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model are presented

  3. Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe CuNiMnSi alloys

    Science.gov (United States)

    Vincent, E.; Becquart, C. S.; Domain, C.

    2007-02-01

    The embrittlement of pressure vessel steels under radiation has been long ago correlated with the presence of Cu solutes. Other solutes such as Ni, Mn and Si are now suspected to contribute also to the embrittlement. The interactions of these solutes with radiation induced point defects thus need to be characterized properly in order to understand the elementary mechanisms behind the formation of the clusters formed upon radiation. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si) in order to build a database used to parameterise an atomic kinetic Monte Carlo model. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model are presented.

  4. Compiling Holocene RSL databases from near- to far-field regions: proxies, difficulties and possible solutions

    Science.gov (United States)

    Vacchi, M.; Horton, B.; Mann, T.; Engelhart, S. E.; Rovere, A.; Nikitina, D.; Bender, M.; Roy, K.; Peltier, W. R.

    2017-12-01

    Reconstructions of relative sea level (RSL) have implications for investigation of crustal movements, calibration of earth rheology models and the reconstruction of ice sheets. In recent years, efforts were made to create RSL databases following a standardized methodology. These regional databases provide a framework for developing our understanding of the primary mechanisms of RSL change since the Last Glacial Maximum and a long-term baseline against which to gauge changes in sea level during the 20th century and forecasts for the 21st. We report here the results of recently compiled databases in very different climatic and geographic contexts that are the northeastern Canadian coast, the Mediterranean Sea as well as the southeastern Asiatic region. Our re-evaluation of sea-level indicators from geological and archaeological investigations have yielded more than 3000 RSL data-points mainly from salt and freshwater wetlands or adjacent estuarine sediment, isolation basins, beach ridges, fixed biological indicators, beachrocks as well as coastal archaeological structures. We outline some of the inherent difficulties, and potential solutions to analyse sea-level data in such different depositional environments. In particular, we discuss problems related with the definition of standardized indicative meaning, and with the re-evaluation of old radiocarbon samples. We further address complex tectonics influences and the framework to compare such large variability of RSL data-points. Finally we discuss the implications of our results for the patterns of glacio-isostatic adjustment in these regions.

  5. Kinetic and Thermodynamic Studies for the Removal of Europium Ions from Waste Solution Using Some Local Clay Minerals

    International Nuclear Information System (INIS)

    El-Kamash, A.M.; El-Masry, E.H.; El-Dessouky, M.I.

    2008-01-01

    Thermodynamic and kinetic investigations on the removal of Eu 3+ ions from aqueous waste solution using bentonite and sandstone, as local clay minerals, has been done using batch technique. The influences of ph, contact time between liquid and solid phases, initial metal ion concentration, and temperature have been evaluated. Pseudo first-order and pseudo second-order kinetic models were used to analyze the sorption rate data and the results showed that the pseudo second-order model is best correlate the kinetic data. Equilibrium isotherms were determined to assess the maximum sorption capacity of bentonite and sandstone and the equilibrium sorption data were analyzed using Freundlich, Langmuir and Dubinin-Radushkevich (D-R) isotherm models. All tested models fit the data reasonably well in terms of regression coefficients. The maximum sorption capacity of bentonite was found to be greater than that of sandstone and the mean free energy is in all cases in the range corresponding to the ion exchange type of sorption. Sorption studies were also performed at different temperatures to obtain the thermodynamic parameters of the process. The numerical value of δG degree decreases with an increase in temperature, indicating that the sorption reaction is more favorable at higher temperature. The positive values of δH degree correspond to the endothermic nature of the sorption process

  6. Comparative analysis of solution methods of the punctual kinetic equations; Analisis comparativo de metodos de solucion de las ecuaciones de cinetica puntual

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez S, A. [UNAM-LAIRN, Jiutepec, Morelos (Mexico)] e-mail: augusto_vib@yahoo.com.mx

    2003-07-01

    The following one written it presents a comparative analysis among different analytical solutions for the punctual kinetics equation, which present two variables of interest: a) the temporary behavior of the neutronic population, and b) The temporary behavior of the different groups of precursors of delayed neutrons. The first solution is based on a method that solves the transfer function of the differential equation for the neutronic population, in which intends to obtain the different poles that give the stability of this transfer function. In this section it is demonstrated that the temporary variation of the reactivity of the system can be managed as it is required, since the integration time for this method doesn't affect the result. However, the second solution is based on an iterative method like that of Runge-Kutta or the Euler method where the algorithm was only used to solve first order differential equations giving this way solution to each differential equation that conforms the equations of punctual kinetics. In this section it is demonstrated that only it can obtain a correct temporary behavior of the neutronic population when it is integrated on an interval of very short time, forcing to the temporary variation of the reactivity to change very quick way without one has some control about the time. In both methods the same change is used so much in the reactivity of the system like in the integration times, giving validity to the results graph the one the temporary behavior of the neutronic population vs. time. (Author)

  7. Database Vs Data Warehouse

    Directory of Open Access Journals (Sweden)

    2007-01-01

    Full Text Available Data warehouse technology includes a set of concepts and methods that offer the users useful information for decision making. The necessity to build a data warehouse arises from the necessity to improve the quality of information in the organization. The date proceeding from different sources, having a variety of forms - both structured and unstructured, are filtered according to business rules and are integrated in a single large data collection. Using informatics solutions, managers have understood that data stored in operational systems - including databases, are an informational gold mine that must be exploited. Data warehouses have been developed to answer the increasing demands for complex analysis, which could not be properly achieved with operational databases. The present paper emphasizes some of the criteria that information application developers can use in order to choose between a database solution or a data warehouse one.

  8. 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.

  9. 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

  10. Kinetics of oxidation of bilirubin and its protein complex by hydrogen peroxide in aqueous solutions

    Science.gov (United States)

    Solomonov, A. V.; Rumyantsev, E. V.; Antina, E. V.

    2010-12-01

    A comparative study of oxidation reactions of bilirubin and its complex with albumin was carried out in aqueous solutions under the action of hydrogen peroxide and molecular oxygen at different pH values. Free radical oxidation of the pigment in both free and bound forms at pH 7.4 was shown not to lead to the formation of biliverdin, but to be associated with the decomposition of the tetrapyrrole chromophore into monopyrrolic products. The effective and true rate constants of the reactions under study were determined. It was assumed that one possible mechanism of the oxidation reaction is associated with the interaction of peroxyl radicals and protons of the NH groups of bilirubin molecules at the limiting stage with the formation of a highly reactive radical intermediate. The binding of bilirubin with albumin was found to result in a considerable reduction in the rate of the oxidation reaction associated with the kinetic manifestation of the protein protection effect. It was found that the autoxidation of bilirubin by molecular oxygen with the formation of biliverdin at the intermediate stage can be observed with an increase in the pH of solutions.

  11. Eggshell Powder as an Adsorbent for Removal of Fluoride from Aqueous Solution: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    R. Bhaumik

    2012-01-01

    Full Text Available A new medium, eggshell powder has been developed for fluoride removal from aqueous solution. Fluoride adsorption was studied in a batch system where adsorption was found to be pH dependent with maximum removal efficiency at 6.0. The experimental data was more satisfactorily fitted with Langmuir isotherm model. The kinetics and the factor controlling adsorption process fully accepted by pseudo-second-order model were also discussed. Ea was found to be 45.98 kJmol-1 by using Arrhenius equation, indicating chemisorption nature of fluoride onto eggshell powder. Thermodynamic study showed spontaneous nature and feasibility of the adsorption process with negative enthalpy (∆H0 value also supported the exothermic nature. Batch experiments were performed to study the applicability of the adsorbent by using fluoride contaminated water collected from affected areas. These results indicate that eggshell powder can be used as an effective, low-cost adsorbent to remove fluoride from aqueous solution as well as groundwater.

  12. Developments in diffraction databases

    International Nuclear Information System (INIS)

    Jenkins, R.

    1999-01-01

    Full text: There are a number of databases available to the diffraction community. Two of the more important of these are the Powder Diffraction File (PDF) maintained by the International Centre for Diffraction Data (ICDD), and the Inorganic Crystal Structure Database (ICSD) maintained by Fachsinformationzentrum (FIZ, Karlsruhe). In application, the PDF has been used as an indispensable tool in phase identification and identification of unknowns. The ICSD database has extensive and explicit reference to the structures of compounds: atomic coordinates, space group and even thermal vibration parameters. A similar database, but for organic compounds, is maintained by the Cambridge Crystallographic Data Centre. These databases are often used as independent sources of information. However, little thought has been given on how to exploit the combined properties of structural database tools. A recently completed agreement between ICDD and FIZ, plus ICDD and Cambridge, provides a first step in complementary use of the PDF and the ICSD databases. The focus of this paper (as indicated below) is to examine ways of exploiting the combined properties of both databases. In 1996, there were approximately 76,000 entries in the PDF and approximately 43,000 entries in the ICSD database. The ICSD database has now been used to calculate entries in the PDF. Thus, to derive d-spacing and peak intensity data requires the synthesis of full diffraction patterns, i.e., we use the structural data in the ICSD database and then add instrumental resolution information. The combined data from PDF and ICSD can be effectively used in many ways. For example, we can calculate PDF data for an ideally random crystal distribution and also in the absence of preferred orientation. Again, we can use systematic studies of intermediate members in solid solutions series to help produce reliable quantitative phase analyses. In some cases, we can study how solid solution properties vary with composition and

  13. PhosphoBase: a database of phosphorylation sites

    DEFF Research Database (Denmark)

    Blom, Nikolaj; Kreegipuu, Andres; Brunak, Søren

    1998-01-01

    PhosphoBase is a database of experimentally verified phosphorylation sites. Version 1.0 contains 156 entries and 398 experimentally determined phosphorylation sites. Entries are compiled and revised from the literature and from major protein sequence databases such as SwissProt and PIR. The entries...... provide information about the phosphoprotein and the exact position of its phosphorylation sites. Furthermore, part of the entries contain information about kinetic data obtained from enzyme assays on specific peptides. To illustrate the use of data extracted from PhosphoBase we present a sequence logo...... displaying the overall conservation of positions around serines phosphorylated by protein kinase A (PKA). PhosphoBase is available on the WWW at http://www.cbs.dtu.dk/databases/PhosphoBase/....

  14. Understanding the kinetics of sulfate reduction in brines by hydrogen: Progress report

    International Nuclear Information System (INIS)

    Strachan, D.M.

    1988-07-01

    Experiments were conducted with mixtures of hydrogen gas and each of PBB1 and PBB3 brines to examine the reduction kinetics of sulfate in high ionic strength solutions. Results from the experiments with brines showed that the kinetics of sulfate reduction is slower in high ionic strength solutions than the kinetics in low ionic strength solutions. However, the kinetic mechanism does not seem to alter the slow kinetics, but the addition of much larger quantities of sulfide, about 40 mM, does accelerate the reduction of sulfate. Since the proposed reaction mechanism for the reduction of sulfate by hydrogen gas involves the reaction of sulfide with sulfate, slow initial kinetics in the absence of sulfide is understandable, but also implies an unknown rate-limiting reaction. Precipitation of calcium sulfate(s) and calcium sulfide may limit the sulfide and sulfate concentrations to low values. The coexistence of anhydrite and oldhamite may indicate a part of the Ca-S-H 2 O that has not yet been investigated. 6 refs., 4 figs., 3 tabs

  15. Evaporation kinetics of surfactant solution droplets on rice (Oryza sativa) leaves

    Science.gov (United States)

    Cao, Li-Dong; Zheng, Li; Xu, Jun; Li, Feng-Min; Huang, Qi-Liang

    2017-01-01

    The dynamics of evaporating sessile droplets on hydrophilic or hydrophobic surfaces is widely studied, and many models for these processes have been developed based on experimental evidence. However, few research has been explored on the evaporation of sessile droplets of surfactant or pesticide solutions on target crop leaves. Thus, in this paper the impact of surfactant concentrations on contact angle, contact diameter, droplet height, and evolution of the droplets’ evaporative volume on rice leaf surfaces have been investigated. The results indicate that the evaporation kinetics of surfactant droplets on rice leaves were influenced by both the surfactant concentrations and the hydrophobicity of rice leaf surfaces. When the surfactant concentration is lower than the surfactant CMC (critical micelle concentration), the droplet evaporation time is much longer than that of the high surfactant concentration. This is due to the longer existence time of a narrow wedge region under the lower surfactant concentration, and such narrow wedge region further restricts the droplet evaporation. Besides, our experimental data are shown to roughly collapse onto theoretical curves based on the model presented by Popov. This study could supply theoretical data on the evaporation of the adjuvant or pesticide droplets for practical applications in agriculture. PMID:28472108

  16. The effect of cation:anion ratio in solution on the mechanism of barite growth at constant supersaturation: Role of the desolvation process on the growth kinetics

    Science.gov (United States)

    Kowacz, M.; Putnis, C. V.; Putnis, A.

    2007-11-01

    The mechanism of barite growth has been investigated in a fluid cell of an Atomic Force Microscope by passing solutions of constant supersaturation ( Ω) but variable ion activity ratio ( r=a/a) over a barite substrate.The observed dependence of step-spreading velocity on solution stoichiometry can be explained by considering non-equivalent attachment frequency factors for the cation and anion. We show that the potential for two-dimensional nucleation changes under a constant thermodynamic driving force due to the kinetics of barium integration into the surface, and that the growth mode changes from preexisting step advancement to island spreading as the cation/anion activity ratio increases. Scanning electron microscopy studies of crystals grown in bulk solutions support our findings that matching the ion ratio in the fluid to that of the crystal lattice does not result in maximum growth and nucleation rates. Significantly more rapid rates correspond to solution stoichiometries where [Ba 2+] is in excess with respect to [ SO42-]. Experiments performed in dilute aqueous solutions of methanol show that even 0.02 molar fraction of organic cosolvent in the growth solution significantly accelerates step growth velocity and nucleation rates (while keeping Ω the same as in the reference solution in water). Our observations suggest that the effect of methanol on barite growth results first of all from reduction of the barrier that prevents the Ba 2+ from reaching the surface and corroborate the hypothesis that desolvation of the cation and of the surface is the rate limiting kinetic process for two-dimensional nucleation and for crystal growth.

  17. The removal of fluoride from aqueous solution by a lateritic soil adsorption: Kinetic and equilibrium studies.

    Science.gov (United States)

    Iriel, Analia; Bruneel, Stijn P; Schenone, Nahuel; Cirelli, Alicia Fernández

    2018-03-01

    The use of natural sorbents to remove fluoride from drinking water is a promising alternative because of its low-cost and easy implementation. In this article, fluoride adsorption on a latosol soil from Misiones province (Argentina) was studied regarding kinetic and equilibrium aspects. Experiments were conducted in batch at room temperature under controlled conditions of pH 4-8) and ionic strength (1-10mM KNO 3 ). Experimental data indicated that adsorption processes followed a PSO kinetic where initial rates have showed to be influenced by pH solution. The necessary time to reach an equilibrium state had resulted approximately 30min. Equilibrium adsorption studies were performed at pH 8 which is similar to the natural groundwater. For that, fluoride adsorption data were successfully adjusted to Dubinin-Ataskhov model determining that the fluoride adsorption onto soil particles mainly followed a physical mechanism with a removal capacity of 0.48mgg -1 . Finally, a natural groundwater was tested with laterite obtaining a reduction close to 30% from initial concentration and without changing significantly the physicochemical properties of the natural water. Therefore, it was concluded that the use of lateritic soils for fluoride removal is very promising on a domestic scale. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. Radionuclide transport in fractured porous media -- Analytical solutions for a system of parallel fractures with a kinetic solubility-limited dissolution model

    International Nuclear Information System (INIS)

    Li, S.H.; Chen, C.T.

    1997-01-01

    Analytical solutions are developed for the problem of radionuclide transport in a system of parallel fractures situated in a porous rock matrix. A kinetic solubility-limited dissolution model is used as the inlet boundary condition. The solutions consider the following processes: (a) advective transport in the fractures, (b) mechanical dispersion and molecular diffusion along the fractures, (c) molecular diffusion from a fracture to the porous matrix, (d) molecular diffusion within the porous matrix in the direction perpendicular to the fracture axis, (e) adsorption onto the fracture wall, (f) adsorption within the porous matrix, and (g) radioactive decay. The solutions are based on the Laplace transform method. The general transient solution is in the form of a double integral that is evaluated using composite Gauss-Legendre quadrature. A simpler transient solution that is in the form of a single integral is also presented for the case that assumes negligible longitudinal dispersion along the fractures. The steady-state solutions are also provided. A number of examples are given to illustrate the effects of the following important parameters: (a) fracture spacings, (b) dissolution-rate constants, (c) fracture dispersion coefficient, (d) matrix retardation factor, and (e) fracture retardation factor

  19. Freundlich and Langmuir adsorption isotherms and kinetics for the removal of Tartrazine from aqueous solutions using hen feathers

    International Nuclear Information System (INIS)

    Mittal, Alok; Kurup, Lisha; Mittal, Jyoti

    2007-01-01

    Tartrazine, a yellow menace, is widely being used in cosmetics, foodstuffs, medicines and textile. It is carcinogenic and also catalyzes allergic problems. In the present work the ability to remove Tartrazine from aqueous solutions has been studied using waste material-hen feathers, as adsorbent. Effects of pH, concentration of the dye, temperature and adsorbent dosage have been studied. Equilibrium isotherms for the adsorption of the dye were measured experimentally. Results were analyzed by the Freundlich and Langmuir equation at different temperatures and determined the characteristic parameters for each adsorption isotherm. The adsorption process has been found endothermic in nature and thermodynamic parameters, Gibb's free energy (ΔG o ), change in enthalpy (ΔH o ) and change in entropy (ΔS o ) have been calculated. The paper also includes results on the kinetic measurements of adsorption of the dye on hen feathers at different temperatures. By rate expression and treatment of data it has been established that the adsorption of Tartrazine over hen feathers follows a first-order kinetics and a film diffusion mechanism operates at all the temperatures

  20. Freundlich and Langmuir adsorption isotherms and kinetics for the removal of Tartrazine from aqueous solutions using hen feathers.

    Science.gov (United States)

    Mittal, Alok; Kurup, Lisha; Mittal, Jyoti

    2007-07-19

    Tartrazine, a yellow menace, is widely being used in cosmetics, foodstuffs, medicines and textile. It is carcinogenic and also catalyzes allergic problems. In the present work the ability to remove Tartrazine from aqueous solutions has been studied using waste material-hen feathers, as adsorbent. Effects of pH, concentration of the dye, temperature and adsorbent dosage have been studied. Equilibrium isotherms for the adsorption of the dye were measured experimentally. Results were analyzed by the Freundlich and Langmuir equation at different temperatures and determined the characteristic parameters for each adsorption isotherm. The adsorption process has been found endothermic in nature and thermodynamic parameters, Gibb's free energy (DeltaG degrees), change in enthalpy (DeltaH degrees) and change in entropy (DeltaS degrees) have been calculated. The paper also includes results on the kinetic measurements of adsorption of the dye on hen feathers at different temperatures. By rate expression and treatment of data it has been established that the adsorption of Tartrazine over hen feathers follows a first-order kinetics and a film diffusion mechanism operates at all the temperatures.

  1. 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)

  2. 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.

  3. Crevice corrosion kinetics of nickel alloys bearing chromium and molybdenum

    International Nuclear Information System (INIS)

    Zadorozne, N.S.; Giordano, C.M.; Rodríguez, M.A.; Carranza, R.M.; Rebak, R.B.

    2012-01-01

    Highlights: ► The crevice corrosion resistance of the tested alloys increased with PREN, which is mainly affected by their Mo content. ► Crevice corrosion kinetics was controlled by ohmic drop only in the more dilute chloride solutions. ► Charge transfer control was observed in concentrated chloride solutions. ► A critical ohmic drop was not necessary for crevice corrosion to occur. ► Ohmic drop was a consequence of the crevice corrosion process in certain conditions. - Abstract: The crevice corrosion kinetics of alloys C-22, C-22HS and HYBRID-BC1 was studied in several chloride solutions at 90 °C. The crevice corrosion resistance of the alloys increased with PREN (Pitting Resistance Equivalent Number), which is mainly affected by the Mo content in the alloys. The crevice corrosion kinetics of the three alloys was analyzed at potentials slightly higher than the repassivation potential. Crevice propagation was controlled by ohmic drop in the more dilute chloride solutions, and by charge transfer in the more concentrated chloride solutions. Ohmic drop was not a necessary condition for crevice corrosion to occur.

  4. Comparisons of kinetics, thermodynamics and regeneration of tetramethylammonium hydroxide adsorption in aqueous solution with graphene oxide, zeolite and activated carbon

    Science.gov (United States)

    Chang, Shenteng; Lu, Chungsying; Lin, Kun-Yi Andrew

    2015-01-01

    Graphene oxide (GO), sodium Y-type zeolite (NaY) and granular activated carbon (GAC) are selected as adsorbents to study their kinetics, thermodynamics and regeneration of tetramethylammonium hydroxide (TMAH) adsorption from water. The adsorption kinetics follows the pseudo-second-order rate law while the adsorption thermodynamics shows an exothermic reaction with GO and GAC but displays an endothermic reaction with NaY. The adsorbed TMAH can be readily desorbed from the surface of GO and NaY by 0.05 M NaCl solution. A comparative study on the cyclic TMAH adsorption with GO, NaY and GAC is also conducted and the results reveal that GO exhibits the greatest TMAH adsorption capacity as well as superior reversibility of TMAH adsorption over 10 cycles of adsorption and desorption process. These features indicate that GO is a promising and efficient adsorbent for TMAH removal in wastewater treatment.

  5. Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.

    Science.gov (United States)

    Gao, Jiali; Major, Dan T; Fan, Yao; Lin, Yen-Lin; Ma, Shuhua; Wong, Kin-Yiu

    2008-01-01

    A method for incorporating quantum mechanics into enzyme kinetics modeling is presented. Three aspects are emphasized: 1) combined quantum mechanical and molecular mechanical methods are used to represent the potential energy surface for modeling bond forming and breaking processes, 2) instantaneous normal mode analyses are used to incorporate quantum vibrational free energies to the classical potential of mean force, and 3) multidimensional tunneling methods are used to estimate quantum effects on the reaction coordinate motion. Centroid path integral simulations are described to make quantum corrections to the classical potential of mean force. In this method, the nuclear quantum vibrational and tunneling contributions are not separable. An integrated centroid path integral-free energy perturbation and umbrella sampling (PI-FEP/UM) method along with a bisection sampling procedure was summarized, which provides an accurate, easily convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. In the ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT), these three aspects of quantum mechanical effects can be individually treated, providing useful insights into the mechanism of enzymatic reactions. These methods are illustrated by applications to a model process in the gas phase, the decarboxylation reaction of N-methyl picolinate in water, and the proton abstraction and reprotonation process catalyzed by alanine racemase. These examples show that the incorporation of quantum mechanical effects is essential for enzyme kinetics simulations.

  6. Evaluation of BTEX and phenol removal from aqueous solution by multi-solute adsorption onto smectite organoclay.

    Science.gov (United States)

    Carvalho, M N; da Motta, M; Benachour, M; Sales, D C S; Abreu, C A M

    2012-11-15

    The removal process of BTEX and phenol was evaluated. The smectite organoclay for single-solute system reached removal was evaluated by adsorption on smectite organoclay adsorbent by kinetic and equilibrium efficiencies between 55 and 90% while was reached between 30 and 90% for multi-solute system at 297 K and pH 9. The Langmuir-Freundlich model was used to fit the experimental data with correlation coefficient between 0.98 and 0.99 providing kinetic and equilibrium parameter values. Phenol and ethylbenzene presented high maximum adsorbed amount, 8.28 and 6.67 mg/g, respectively, compared to the other compounds for single-solute. Toluene and p-xylene presented high values of adsorption constant which indicates a high adsorption affinity of compounds to organoclay surface and high binding energy of adsorption. Phenol presented low kinetic adsorption constant value indicating slow rate of adsorption. Copyright © 2012 Elsevier B.V. All rights reserved.

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

    Directory of Open Access Journals (Sweden)

    RANGEL P. IGOV

    2003-02-01

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

  8. Scalable Database Design of End-Game Model with Decoupled Countermeasure and Threat Information

    Science.gov (United States)

    2017-11-01

    the Army Modular Active Protection System (MAPS) program to provide end-to-end APS modeling and simulation capabilities. The SSES simulation features...research project of scalable database design was initiated in support of SSES modularization efforts with respect to 4 major software components...Iron Curtain KE kinetic energy MAPS Modular Active Protective System OLE DB object linking and embedding database RDB relational database RPG

  9. Kinetics of the oxidation of hydrogen sulfite by hydrogen peroxide in aqueous solution:. ionic strength effects and temperature dependence

    Science.gov (United States)

    Maaß, Frank; Elias, Horst; Wannowius, Klaus J.

    Conductometry was used to study the kinetics of the oxidation of hydrogen sulfite, HSO -3, by hydrogen peroxide in aqueous non-buffered solution at the low concentration level of 10 -5-10 -6 M, typically found in cloud water. The kinetic data confirm that the rate law reported for the pH range 3-6 at higher concentration levels, rate= kH·[H +]·[HSO -3]·[H 2O 2], is valid at the low concentration level and at low ionic strength Ic. At 298 K and Ic=1.5×10 -4 M, third-order rate constant kH was found to be kH=(9.1±0.5)×10 7 M -2 s -1. The temperature dependence of kH led to an activation energy of Ea=29.7±0.9 kJ mol -1. The effect of the ionic strength (adjusted with NaCl) on rate constant kH was studied in the range Ic=2×10 -4-5.0 M at pH=4.5-5.2 by conductometry and stopped-flow spectrophotometry. The dependence of kH on Ic can be described with a semi-empirical relationship, which is useful for the purpose of comparison and extrapolation. The kinetic data obtained are critically compared with those reported earlier.

  10. Kinetic investigation of the chlorine reduction reaction on electrochemically oxidised ruthenium

    International Nuclear Information System (INIS)

    Thomassen, M.; Karlsen, C.; Borresen, B.; Tunold, R.

    2006-01-01

    The rate and mechanism of the electroreduction of chlorine on electrooxidised ruthenium has been investigated with focus on the effect of solution pH. Current/potential curves for the reduction process in solutions with constant chloride concentration of 1.0 mol dm -3 and varying H + concentration have been obtained with the use of the rotating disk electrode technique (RDE). It was found that the chlorine reduction rate is highly inhibited in solutions with high H + concentrations and that it can be satisfactorily described by the Erenburg mechanism, previously suggested for the chlorine evolution on RuO 2 and RTO. The expression of the kinetic current as a function of chlorine and H + concentration was obtained by solving the elementary rate equations of the kinetic mechanism. The kinetic constants obtained from the correlation of the kinetic current expression to the experimental data were used to simulate the dependence of the surface coverages and elementary reaction rates on overpotential

  11. Parametric and kinetic study of adsorptive removal of dyes from aqueous solutions using an agriculture waste

    Science.gov (United States)

    Bencheikh, imane; el hajjaji, souad; abourouh, imane; Kitane, Said; Dahchour, Abdelmalek; El M'Rabet, Mohammadine

    2017-04-01

    -first- order kinetic model the pseudo-second-order kinetic model , and the Intraparticule diffusion model . It was observed that the pseudo -second -order model was the best model describing the adsorption behavior of MB and MO onto holocellulose. This suggested that the adsorption mechanism might be a chemisorptions process. In general, the results indicated that holocellulose is suitable as sorbent material for adsorption of MO and MB from aqueous solutions for its high effectiveness and low cost.

  12. PROXiMATE: a database of mutant protein-protein complex thermodynamics and kinetics.

    Science.gov (United States)

    Jemimah, Sherlyn; Yugandhar, K; Michael Gromiha, M

    2017-09-01

    We have developed PROXiMATE, a database of thermodynamic data for more than 6000 missense mutations in 174 heterodimeric protein-protein complexes, supplemented with interaction network data from STRING database, solvent accessibility, sequence, structural and functional information, experimental conditions and literature information. Additional features include complex structure visualization, search and display options, download options and a provision for users to upload their data. The database is freely available at http://www.iitm.ac.in/bioinfo/PROXiMATE/ . The website is implemented in Python, and supports recent versions of major browsers such as IE10, Firefox, Chrome and Opera. gromiha@iitm.ac.in. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

  13. Database mirroring in fault-tolerant continuous technological process control

    Directory of Open Access Journals (Sweden)

    R. Danel

    2015-10-01

    Full Text Available This paper describes the implementations of mirroring technology of the selected database systems – Microsoft SQL Server, MySQL and Caché. By simulating critical failures the systems behavior and their resilience against failure were tested. The aim was to determine whether the database mirroring is suitable to use in continuous metallurgical processes for ensuring the fault-tolerant solution at affordable cost. The present day database systems are characterized by high robustness and are resistant to sudden system failure. Database mirroring technologies are reliable and even low-budget projects can be provided with a decent fault-tolerant solution. The database system technologies available for low-budget projects are not suitable for use in real-time systems.

  14. Practical database programming with Java

    CERN Document Server

    Bai, Ying

    2011-01-01

    "This important resource offers a detailed description about the practical considerations and applications in database programming using Java NetBeans 6.8 with authentic examples and detailed explanations. This book provides readers with a clear picture as to how to handle the database programming issues in the Java NetBeans environment. The book is ideal for classroom and professional training material. It includes a wealth of supplemental material that is available for download including Powerpoint slides, solution manuals, and sample databases"--

  15. Migration from relational to NoSQL database

    Science.gov (United States)

    Ghotiya, Sunita; Mandal, Juhi; Kandasamy, Saravanakumar

    2017-11-01

    Data generated by various real time applications, social networking sites and sensor devices is of very huge amount and unstructured, which makes it difficult for Relational database management systems to handle the data. Data is very precious component of any application and needs to be analysed after arranging it in some structure. Relational databases are only able to deal with structured data, so there is need of NoSQL Database management System which can deal with semi -structured data also. Relational database provides the easiest way to manage the data but as the use of NoSQL is increasing it is becoming necessary to migrate the data from Relational to NoSQL databases. Various frameworks has been proposed previously which provides mechanisms for migration of data stored at warehouses in SQL, middle layer solutions which can provide facility of data to be stored in NoSQL databases to handle data which is not structured. This paper provides a literature review of some of the recent approaches proposed by various researchers to migrate data from relational to NoSQL databases. Some researchers proposed mechanisms for the co-existence of NoSQL and Relational databases together. This paper provides a summary of mechanisms which can be used for mapping data stored in Relational databases to NoSQL databases. Various techniques for data transformation and middle layer solutions are summarised in the paper.

  16. Kinetics of electrophilic substitution of neodymium(3) by ytterbium(3) in aqueous solution of ethylenediaminetetraacetate solution of ethylenediaminetetraacetate and cyclohexanediaminetetraacetate

    Energy Technology Data Exchange (ETDEWEB)

    Nikitenko, S.I.; Martynenko, L.I.; Pechurova, N.I.; Spitsyn, V.I. (Moskovskij Gosudarstvennyj Univ. (USSR))

    1981-01-01

    The process of electrophilic substitution is studied spectrophotometrically taking as an example neodymium (3) substitution for ytterbium (3) in solutions, containing NdL/sup -/ and Yb/sup 3 +/, where L/sup 4 -/ = A/sup 4 -/ and D/sup 4 -/ (ethylenediaminetetraacetate- and cyclohexanediaminetetraacetate). The study of the exchange kinetics is carried out in pH range of 4-6. For the system with L=A in pH range 4.0-4.8 the exchange is realized by the way of acidic dissociation, at pH 5.5-6.0 - by the way of the direct attack. In the system with L=D in pH range 3.5-4.0 the way of acid dissociation prevails, at the same time, the rate constant of acidic dissociation for NdD/sup -/ is two order lower the constant for NdA/sup -/. However, at pH 4.7 the machanism of spontaneous dissociation prevails in the system. Thus, the structure of the complex has considerable effect on the mechanism of electrophilic substitution in rare earth complexes.

  17. Kinetics of electrophilic substitution of neodymium(3) by ytterbium(3) in aqueous solution of ethylenediaminetetraacetate solution of ethylenediaminetetraacetate and cyclohexanediaminetetraacetate

    International Nuclear Information System (INIS)

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

    1981-01-01

    The process of electrophilic substitution is studied spectrophotometrically taking as an example neodymium (3) substitution for ytterbium (3) in solutions, containing NdL - and Yb 3+ , where L 4- = A 4- and D 4- (ethylenediaminetetraacetate- and cyclohexanediaminetetraacetate). The study of the exchange kinetics is carried out in pH range of 4-6. For the system with L=A in pH range 4.0-4.8 the exchange is realized by the way of acidic dissociation, at pH 5.5-6.0 - by the way of the direct attack. In the system with L=D in pH range 3.5-4.0 the way of acid dissociation prevails, at the same time, the rate constant of acidic dissociation for NdD - is two order lower the constant for NdA - . However, at pH 4.7 the machanism of spontaneous dissociation prevails in the system. Thus, the structure of the complex has considerable effect on the mechanism of electrophilic substitution in rare earth complexes [ru

  18. Solution of fractional kinetic equation by a class of integral transform of pathway type

    Science.gov (United States)

    Kumar, Dilip

    2013-04-01

    Solutions of fractional kinetic equations are obtained through an integral transform named Pα-transform introduced in this paper. The Pα-transform is a binomial type transform containing many class of transforms including the well known Laplace transform. The paper is motivated by the idea of pathway model introduced by Mathai [Linear Algebra Appl. 396, 317-328 (2005), 10.1016/j.laa.2004.09.022]. The composition of the transform with differential and integral operators are proved along with convolution theorem. As an illustration of applications to the general theory of differential equations, a simple differential equation is solved by the new transform. Being a new transform, the Pα-transform of some elementary functions as well as some generalized special functions such as H-function, G-function, Wright generalized hypergeometric function, generalized hypergeometric function, and Mittag-Leffler function are also obtained. The results for the classical Laplace transform is retrieved by letting α → 1.

  19. Kinetics and Mechanism of the Reaction of a Ruthenium(VI) Nitrido Complex with HSO3 (-) and SO3 (2-) in Aqueous Solution.

    Science.gov (United States)

    Wang, Qian; Zhao, Hong Yan; Man, Wai-Lun; Lam, William W Y; Lau, Kai-Chung; Lau, Tai-Chu

    2016-07-25

    The kinetics and mechanism of the reaction of S(IV) (SO3 (2-) +HSO3 (-) ) with a ruthenium(VI) nitrido complex, [(L)Ru(VI) (N)(OH2 )](+) (Ru(VI) N, L=N,N'-bis(salicylidene)-o-cyclohexyldiamine dianion), in aqueous acidic solutions are reported. The kinetic results are consistent with parallel pathways involving oxidation of HSO3 (-) and SO3 (2-) by Ru(VI) N. A deuterium isotope effect of 4.7 is observed in the HSO3 (-) pathway. Based on experimental results and DFT calculations the proposed mechanism involves concerted N-S bond formation (partial N-atom transfer) between Ru(VI) N and HSO3 (-) and H(+) transfer from HSO3 (-) to a H2 O molecule. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Point kinetics modeling

    International Nuclear Information System (INIS)

    Kimpland, R.H.

    1996-01-01

    A normalized form of the point kinetics equations, a prompt jump approximation, and the Nordheim-Fuchs model are used to model nuclear systems. Reactivity feedback mechanisms considered include volumetric expansion, thermal neutron temperature effect, Doppler effect and void formation. A sample problem of an excursion occurring in a plutonium solution accidentally formed in a glovebox is presented

  1. Thermodynamics and kinetics of adsorption of Cu(II from aqueous solutions onto multi-walled carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Iman Mobasherpour

    2014-12-01

    Full Text Available Release of heavy metals into water as a result of industrial activities may pose a serious threat to the environment. The objective of this study is to assess the uptake of Cu2+ from aqueous solutions onto multi-walled carbon nanotubes (MWCNT. The potential of the t-MWCNT to remove Cu2+ cations from aqueous solutions was investigated in batch reactor under different experimental conditions. The processing parameters such as initial concentration of Cu2+ ions, temperature, and adsorbent mass were also investigated. Copper uptake was quantitatively evaluated using the Langmuir, Freundlich and Dubinin–Kaganer–Radushkevich (DKR models. In addition, the adsorption equilibrium was described well by the Langmuir isotherm model with maximum adsorption capacity of 12.34 mg/g of Cu2+ cations on t-MWCNT. Various thermodynamic parameters, such as ΔG0, ΔH0 and ΔS0 were calculated. The thermodynamics of Cu2+ cations adsorption onto t-MWCNT system pointed at spontaneous and endothermic nature of the process. Using the second-order kinetic constants, the activation energy of adsorption (Ea was determined as 27.187 kJ/mol according to the Arrhenius equation.

  2. Kinetic modeling and fitting software for interconnected reaction schemes: VisKin.

    Science.gov (United States)

    Zhang, Xuan; Andrews, Jared N; Pedersen, Steen E

    2007-02-15

    Reaction kinetics for complex, highly interconnected kinetic schemes are modeled using analytical solutions to a system of ordinary differential equations. The algorithm employs standard linear algebra methods that are implemented using MatLab functions in a Visual Basic interface. A graphical user interface for simple entry of reaction schemes facilitates comparison of a variety of reaction schemes. To ensure microscopic balance, graph theory algorithms are used to determine violations of thermodynamic cycle constraints. Analytical solutions based on linear differential equations result in fast comparisons of first order kinetic rates and amplitudes as a function of changing ligand concentrations. For analysis of higher order kinetics, we also implemented a solution using numerical integration. To determine rate constants from experimental data, fitting algorithms that adjust rate constants to fit the model to imported data were implemented using the Levenberg-Marquardt algorithm or using Broyden-Fletcher-Goldfarb-Shanno methods. We have included the ability to carry out global fitting of data sets obtained at varying ligand concentrations. These tools are combined in a single package, which we have dubbed VisKin, to guide and analyze kinetic experiments. The software is available online for use on PCs.

  3. SABIO-RK: A data warehouse for biochemical reactions and their kinetics

    Directory of Open Access Journals (Sweden)

    Krebs Olga

    2007-03-01

    Full Text Available Systems biology is an emerging field that aims at obtaining a system-level understanding of biological processes. The modelling and simulation of networks of biochemical reactions have great and promising application potential but require reliable kinetic data. In order to support the systems biology community with such data we have developed SABIO-RK (System for the Analysis of Biochemical Pathways - Reaction Kinetics, a curated database with information about biochemical reactions and their kinetic properties, which allows researchers to obtain and compare kinetic data and to integrate them into models of biochemical networks. SABIO-RK is freely available for academic use at http://sabio.villa-bosch.de/SABIORK/.

  4. Kinetic Rate Law Parameter Measurements on a Borosilicate Waste Glass: Effect of Temperature, pH, and Solution Composition on Alkali Ion Exchange

    International Nuclear Information System (INIS)

    Pierce, Eric M.; McGrail, B PETER.; Icenhower, J P.; Rodriguez, Elsa A.; Steele, Jackie L.; Baum, Steven R.

    2004-01-01

    The reaction kinetics of glass is controlled by matrix dissolution and ion exchange (IEX). Dissolution of an alkali-rich simulated borosilicate waste glass was investigated using single-pass flow-through (SPFT) experiments. Experiments were conducted as a function of temperature, pH, and solution composition by varying the SiO 2 (aq) activity in the influent solution. Results showed that under dilute conditions matrix dissolution increased with increasing pH and temperature, and decreased with increasing SiO 2 (aq) activity. IEX rates decreased with increasing pH and temperature, and increased with increasing SiO 2 (aq) activity. Over the solution composition range interrogated in this study the dominant dissolution mechanism changed from matrix dissolution to IEX. These results suggest that ''secondary'' reactions may become dominant under certain environmental conditions and emphasize the need to incorporate these reactions into dissolution rate models

  5. The kinetics of multi-compartmentalized systems, studied by radioactive tracers

    International Nuclear Information System (INIS)

    Gouveia, A.S. de.

    1978-01-01

    The use of compartmental models to investigate kinetic problems is presented. This use is restricted, however, to linear models. As an application of different methods, the kinetic behaviour of haemaccel labelled with iodine 131 is studied, the interval of the physically viable solutions being established. The existence of a class of solutions is explained as a result of lack of knowledge of a complete data set. The possibility of obtaining a single solution is also discussed. The formalism of the program SAAM (Simulation, Analysis and modelling) now judged very important for the study of multi-compartimental analysis is presented. (I.C.R) [pt

  6. New DMSP Database of Precipitating Auroral Electrons and Ions.

    Science.gov (United States)

    Redmon, Robert J; Denig, William F; Kilcommons, Liam M; Knipp, Delores J

    2017-08-01

    Since the mid 1970's, the Defense Meteorological Satellite Program (DMSP) spacecraft have operated instruments for monitoring the space environment from low earth orbit. As the program evolved, so to have the measurement capabilities such that modern DMSP spacecraft include a comprehensive suite of instruments providing estimates of precipitating electron and ion fluxes, cold/bulk plasma composition and moments, the geomagnetic field, and optical emissions in the far and extreme ultraviolet. We describe the creation of a new public database of precipitating electrons and ions from the Special Sensor J (SSJ) instrument, complete with original counts, calibrated differential fluxes adjusted for penetrating radiation, estimates of the total kinetic energy flux and characteristic energy, uncertainty estimates, and accurate ephemerides. These are provided in a common and self-describing format that covers 30+ years of DMSP spacecraft from F06 (launched in 1982) through F18 (launched in 2009). This new database is accessible at the National Centers for Environmental Information (NCEI) and the Coordinated Data Analysis Web (CDAWeb). We describe how the new database is being applied to high latitude studies of: the co-location of kinetic and electromagnetic energy inputs, ionospheric conductivity variability, field aligned currents and auroral boundary identification. We anticipate that this new database will support a broad range of space science endeavors from single observatory studies to coordinated system science investigations.

  7. New DMSP database of precipitating auroral electrons and ions

    Science.gov (United States)

    Redmon, Robert J.; Denig, William F.; Kilcommons, Liam M.; Knipp, Delores J.

    2017-08-01

    Since the mid-1970s, the Defense Meteorological Satellite Program (DMSP) spacecraft have operated instruments for monitoring the space environment from low Earth orbit. As the program evolved, so have the measurement capabilities such that modern DMSP spacecraft include a comprehensive suite of instruments providing estimates of precipitating electron and ion fluxes, cold/bulk plasma composition and moments, the geomagnetic field, and optical emissions in the far and extreme ultraviolet. We describe the creation of a new public database of precipitating electrons and ions from the Special Sensor J (SSJ) instrument, complete with original counts, calibrated differential fluxes adjusted for penetrating radiation, estimates of the total kinetic energy flux and characteristic energy, uncertainty estimates, and accurate ephemerides. These are provided in a common and self-describing format that covers 30+ years of DMSP spacecraft from F06 (launched in 1982) to F18 (launched in 2009). This new database is accessible at the National Centers for Environmental Information and the Coordinated Data Analysis Web. We describe how the new database is being applied to high-latitude studies of the colocation of kinetic and electromagnetic energy inputs, ionospheric conductivity variability, field-aligned currents, and auroral boundary identification. We anticipate that this new database will support a broad range of space science endeavors from single observatory studies to coordinated system science investigations.

  8. Present status on numerical algorithms and benchmark tests for point kinetics and quasi-static approximate kinetics

    International Nuclear Information System (INIS)

    Ise, Takeharu

    1976-12-01

    Review studies have been made on algorithms of numerical analysis and benchmark tests on point kinetics and quasistatic approximate kinetics computer codes to perform efficiently benchmark tests on space-dependent neutron kinetics codes. Point kinetics methods have now been improved since they can be directly applied to the factorization procedures. Methods based on Pade rational function give numerically stable solutions and methods on matrix-splitting are interested in the fact that they are applicable to the direct integration methods. An improved quasistatic (IQ) approximation is the best and the most practical method; it is numerically shown that the IQ method has a high stability and precision and the computation time which is about one tenth of that of the direct method. IQ method is applicable to thermal reactors as well as fast reactors and especially fitted for fast reactors to which many time steps are necessary. Two-dimensional diffusion kinetics codes are most practicable though there exist also three-dimensional diffusion kinetics code as well as two-dimensional transport kinetics code. On developing a space-dependent kinetics code, in any case, it is desirable to improve the method so as to have a high computing speed for solving static diffusion and transport equations. (auth.)

  9. an improved solution of first order kinetics for biochemical oxygen ...

    African Journals Online (AJOL)

    DELL

    Accuracies of these methods were evaluated using relative error, Akaike ... Keywords: Wastewater, Environmental Engineering, Biochemical Oxygen Demand Kinetic Parameters,. Statistical ... evaluating organic pollution level and quality of wastewaters. ... compounds ...... method can be applied on electronic devices, and.

  10. A nondissipative simulation method for the drift kinetic equation

    International Nuclear Information System (INIS)

    Watanabe, Tomo-Hiko; Sugama, Hideo; Sato, Tetsuya

    2001-07-01

    With the aim to study the ion temperature gradient (ITG) driven turbulence, a nondissipative kinetic simulation scheme is developed and comprehensively benchmarked. The new simulation method preserving the time-reversibility of basic kinetic equations can successfully reproduce the analytical solutions of asymmetric three-mode ITG equations which are extended to provide a more general reference for benchmarking than the previous work [T.-H. Watanabe, H. Sugama, and T. Sato: Phys. Plasmas 7 (2000) 984]. It is also applied to a dissipative three-mode system, and shows a good agreement with the analytical solution. The nondissipative simulation result of the ITG turbulence accurately satisfies the entropy balance equation. Usefulness of the nondissipative method for the drift kinetic simulations is confirmed in comparisons with other dissipative schemes. (author)

  11. Evolutions and equilibrium parameters of foam films from individual solutions of Bovine serum albumin, n-dodecyl-β-D-maltoside and from their mixed solutions

    Science.gov (United States)

    Gerasimova, Anelia Tsvetanova; Angarska, Jana Krumova; Tachev, Krasimir Dimov

    2017-03-01

    The evolutions of thinning of films from individual solutions of BSA, C12G2 and from their mixed solutions with molar ratios 1:1, 1:7.5, 1:50 and 1:100 with pH = 4.9 were recorded by modified (with video camera) interferometric method. Based on them the stages through which the film goes from its formation to the equilibrium state were distinguished. It was shown that: (i) the difference between the kinetic of drainage of films stabilized by high and low molecular surfactants is drastic; (ii) only the change of the pH solution under or above isoelectric point strongly retards the film drainage; (iii) the transition of the kinetic of thinning of films from mixed solutions from a kinetic typical for high molecular substances towards a kinetic for low substances depends on the molar ratio between the components in the solution. From the picture of film corresponding to its equilibrium state the type of film was determined. From the analysis of this picture the equilibrium thickness and contact angle were calculated. It was found that the criterion for Newtonium black films (based on the values of film thickness and contact angle) is not directly applicable for films from protein solutions or mixed solutions with the participation of proteins.

  12. An Adaptive Database Intrusion Detection System

    Science.gov (United States)

    Barrios, Rita M.

    2011-01-01

    Intrusion detection is difficult to accomplish when attempting to employ current methodologies when considering the database and the authorized entity. It is a common understanding that current methodologies focus on the network architecture rather than the database, which is not an adequate solution when considering the insider threat. Recent…

  13. Redox potentials and kinetics of the Ce 3+/Ce 4+ redox reaction and solubility of cerium sulfates in sulfuric acid solutions

    Science.gov (United States)

    Paulenova, A.; Creager, S. E.; Navratil, J. D.; Wei, Y.

    Experimental work was performed with the aim of evaluating the Ce 4+/Ce 3+ redox couple in sulfuric acid electrolyte for use in redox flow battery (RFB) technology. The solubility of cerium sulfates in 0.1-4.0 M sulfuric acid at 20-60 °C was studied. A synergistic effect of both sulfuric acid concentration and temperature on the solubility of cerous sulfate was observed. The solubility of cerous sulfate significantly decreased with rising concentration of sulfuric acid and rising temperature, while the solubility of ceric sulfate goes through a significant maximum at 40 °C. Redox potentials and the kinetics of the cerous/ceric redox reaction were also studied under the same temperature-concentration conditions. The redox potentials were measured using the combined redox electrode (Pt-Ag/AgCl) in equimolar Ce 4+/Ce 3+ solutions (i.e.[Ce 3+]=[Ce 4+]) in sulfuric acid electrolyte. The Ce 3+/Ce 4+ redox potentials significantly decrease (i.e. shift to more negative values) with rising sulfuric acid concentration; a small maximum is observed at 40 °C. Cyclic voltammetric experiments confirmed slow electrochemical kinetics of the Ce 3+/Ce 4+ redox reaction on carbon glassy electrodes (CGEs) in sulfuric acid solutions. The observed dependencies of solubilities, the redox potentials and the kinetics of Ce 3+/Ce 4+ redox reaction on sulfuric acid concentration are thought to be the result of inequivalent complexation of the two redox species by sulfate anions: the ceric ion is much more strongly bound to sulfate than is the cerous ion. The best temperature-concentration conditions for the RFB electrolytes appear to be 40 °C and 1 M sulfuric acid, where the relatively good solubility of both cerium species, the maximum of redox potentials, and the more or less satisfying stability of CGE s were found. Even so, the relatively low solubility of cerium salts in sulfuric acid media and slow redox kinetics of the Ce 3+/Ce 4+ redox reaction at carbon indicate that the Ce 3+/Ce

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

    Science.gov (United States)

    Adeogun, Abideen Idowu; Balakrishnan, Ramesh Babu

    2017-07-01

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

  15. Sorption performance of activated nkaliki clay in removing chromium (vi) ion from aqueous solution: kinetics, isotherm, and thermodynamic studies

    International Nuclear Information System (INIS)

    Ajemba, R.O.; Ugonabo, V.I.; Okafor, V.N.

    2017-01-01

    Bentonite from Nkaliki was modified by acid activation using different concentrations of sulphuric acid. The physicochemical properties of the raw and modified samples were analyzed. The sorption performance of the modified and raw bentonite was studied in the removal of chromium (VI) ion from aqueous solution. Effect of key process parameters on the adsorption process was studied. Results of the physicochemical analyses showed that the acid activation altered the structural arrangements of the bentonite. The surface area and adsorption capacity increased from 37.6m/sup 2//g to 74m/sup 2//g and 45 to 98%, respectively, after activating with 6mol/l of H/sub 2/SO/sub 4/. The chromium (VI) ion adsorption increased with increase in process parameters studied. The kinetics analysis of the adsorption data follows the pseudo second-order kinetics, while equilibrium analysis conformed to the Langmuir isotherm. The thermodynamic parameters revealed that adsorption process is spontaneous and endothermic. This study shows that modified Nkaliki bentonite could be used for wastewater treatment. (author)

  16. Kinetics of aging of metastable, zirconium-dioxide-based solid electrolytes

    International Nuclear Information System (INIS)

    Vlasov, A.N.; Inozemtsev, M.V.

    1985-01-01

    The kinetics of aging of zirconium-dioxide-based metastable solid oxide electrolytes stabilized with 8 to 10 mole % of yttrium, holmium, or scandium oxide were studied over the temperature range from 1200 to 1373 0 K. Kinetic equations were proposed which describe the conduction behavior of two-phase solid electrolytes in a wide time range. The processes were found to occur independently at the initial stage of aging in the cubic solution, viz., an increase in the number of nuclei of the new phase, and a growth in volume of nuclei of the new phase. After a long time the former process ceases, and the kinetics of aging of the electrolyte only are determined by the kinetics of volume growth of the inclusions of new phase. The time-dependent behavior of two-phase solid solutions is discussed theoretically and examined experimentally

  17. Ion Exchange Kinetics of some Heavy Metals from Aqueous Solutions onto Poly(Acrylic Acid-Acrylo nitrle) Potassium Titanate

    International Nuclear Information System (INIS)

    El-Shorbagy, M.M.; El-Sadek, A.A.

    2012-01-01

    Composite inorganic-organic absorbers represent a group of inorganic ion exchangers modified using binding organic materials for preparation of larger size particles heaving higher granular strength. Such modification of originally powdered or microcrystalline inorganic ion exchangers makes their application in peaked beds possible-modified polyacrylonitrile (PAN) has been used as a universal binding polymer for a number of inorganic ion exchangers. The kinetic of ion exchange and sorption capacity of such composite absorbers is not influenced by the binding polymer mentioned above. These composites have been tested for separation and concentration of various contaminants from aqueous solutions. Their high selectivity and sorption efficiency are advantageous for treatment of various industrial waste waters. Removal of natural or artificial and the heavy metals, Pb, Cd and Zn ions. the influence of initial metal ion concentration and ph on metal ion removal has been studied. The process was found to follow a first order rate kinetics. The intra-particle diffusion of ions through pores in the adsorbent was to be the main rate limiting step. The selectivity order towards the ions was Pb(II) > Cd(II) > Zn(II)

  18. Freundlich and Langmuir adsorption isotherms and kinetics for the removal of Tartrazine from aqueous solutions using hen feathers

    Energy Technology Data Exchange (ETDEWEB)

    Mittal, Alok [Department of Applied Chemistry, Maulana Azad National Institute of Technology, Bhopal, 462 007 MP (India)]. E-mail: aljymittal@yahoo.co.in; Kurup, Lisha [Department of Applied Chemistry, Maulana Azad National Institute of Technology, Bhopal, 462 007 MP (India); Mittal, Jyoti [Department of Applied Chemistry, Maulana Azad National Institute of Technology, Bhopal, 462 007 MP (India)

    2007-07-19

    Tartrazine, a yellow menace, is widely being used in cosmetics, foodstuffs, medicines and textile. It is carcinogenic and also catalyzes allergic problems. In the present work the ability to remove Tartrazine from aqueous solutions has been studied using waste material-hen feathers, as adsorbent. Effects of pH, concentration of the dye, temperature and adsorbent dosage have been studied. Equilibrium isotherms for the adsorption of the dye were measured experimentally. Results were analyzed by the Freundlich and Langmuir equation at different temperatures and determined the characteristic parameters for each adsorption isotherm. The adsorption process has been found endothermic in nature and thermodynamic parameters, Gibb's free energy ({delta}G{sup o}), change in enthalpy ({delta}H{sup o}) and change in entropy ({delta}S{sup o}) have been calculated. The paper also includes results on the kinetic measurements of adsorption of the dye on hen feathers at different temperatures. By rate expression and treatment of data it has been established that the adsorption of Tartrazine over hen feathers follows a first-order kinetics and a film diffusion mechanism operates at all the temperatures.

  19. Phosphorus removal from aqueous solution in parent and aluminum-modified eggshells: thermodynamics and kinetics, adsorption mechanism, and diffusion process.

    Science.gov (United States)

    Guo, Ziyan; Li, Jiuhai; Guo, Zhaobing; Guo, Qingjun; Zhu, Bin

    2017-06-01

    Parent and aluminum-modified eggshells were prepared and characterized with X-ray diffraction, specific surface area measurements, infrared spectroscopy, zeta potential, and scanning electron microscope, respectively. Besides, phosphorus adsorptions in these two eggshells at different temperatures and solution pH were carried out to study adsorption thermodynamics and kinetics as well as the mechanisms of phosphorus adsorption and diffusion. The results indicated that high temperature was favorable for phosphorus adsorption in parent and aluminum-modified eggshells. Alkaline solution prompted phosphorus adsorption in parent eggshell, while the maximum adsorption amount was achievable at pH 4 in aluminum-modified eggshell. Adsorption isotherms of phosphorus in these eggshells could be well described by Langmuir and Freundlich models. Phosphorus adsorption amounts in aluminum-modified eggshell were markedly higher compared to those in parent eggshell. Adsorption heat indicated that phosphorus adsorption in parent eggshell was a typically physical adsorption process, while chemical adsorption mechanism of ion exchange between phosphorus and hydroxyl groups on the surface of eggshells was dominated in aluminum-modified eggshell. The time-resolved uptake curves showed phosphorus adsorption in aluminum-modified eggshell was significantly faster than that in parent eggshell. Moreover, there existed two clear steps in time-resolved uptake curves of phosphorus in parent eggshell. Based on pseudo-second order kinetic model and intraparticle diffusion model, we inferred more than one process affected phosphorus adsorption. The first process was the diffusion of phosphorus through water to external surface and the opening of pore channel in the eggshells, and the second process was mainly related to intraparticle diffusion.

  20. METRICS FOR DYNAMIC SCALING OF DATABASE IN CLOUDS

    Directory of Open Access Journals (Sweden)

    Alexander V. Boichenko

    2013-01-01

    Full Text Available This article analyzes the main methods of scaling databases (replication, sharding and their support at the popular relational databases and NoSQL solutions with different data models: a document-oriented, key-value, column-oriented, graph. The article provides an assessment of the capabilities of modern cloud-based solution and gives a model for the organization of dynamic scaling in the cloud infrastructure. In the article are analyzed different types of metrics and are included the basic metrics that characterize the functioning parameters and database technology, as well as sets the goals of the integral metrics, necessary for the implementation of adaptive algorithms for dynamic scaling databases in the cloud infrastructure. This article was prepared with the support of RFBR grant № 13-07-00749.

  1. Kinetics of molybdenite oxidizing leaching in alkali medium by ozone

    International Nuclear Information System (INIS)

    Medvedev, A.S.; Sokratova, N.B.; Litman, I.V.; Zelikman, A.N.

    1985-01-01

    On the basis of investigation of the process kinetics proposed is a model of oxidizing leaching of molybdenite in alkali medium while ozonization of the solution by ozoneair mixture. A kinetic equation is derived, that describes experimental data satisfactorily

  2. Modified mean generation time parameter in the neutron point kinetics equations

    Energy Technology Data Exchange (ETDEWEB)

    Diniz, Rodrigo C.; Gonçalves, Alessandro C.; Rosa, Felipe S.S., E-mail: alessandro@nuclear.ufrj.br, E-mail: frosa@if.ufrj.br [Coordenacao de Pos-Graduacao e Pesquisa de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil)

    2017-07-01

    This paper proposes an approximation for the modified point kinetics equations proposed by NUNES et. al, 2015, through the adjustment of a kinetic parameter. This approximation consists of analyzing the terms of the modified point kinetics equations in order to identify the least important ones for the solution, resulting in a modification of the mean generation time parameter that incorporates all influences of the additional terms of the modified kinetics. This approximation is applied on the inverse kinetics, to compare the results with the inverse kinetics from the modified kinetics in order to validate the proposed model. (author)

  3. Modified mean generation time parameter in the neutron point kinetics equations

    International Nuclear Information System (INIS)

    Diniz, Rodrigo C.; Gonçalves, Alessandro C.; Rosa, Felipe S.S.

    2017-01-01

    This paper proposes an approximation for the modified point kinetics equations proposed by NUNES et. al, 2015, through the adjustment of a kinetic parameter. This approximation consists of analyzing the terms of the modified point kinetics equations in order to identify the least important ones for the solution, resulting in a modification of the mean generation time parameter that incorporates all influences of the additional terms of the modified kinetics. This approximation is applied on the inverse kinetics, to compare the results with the inverse kinetics from the modified kinetics in order to validate the proposed model. (author)

  4. SPAN: A Network Providing Integrated, End-to-End, Sensor-to-Database Solutions for Environmental Sciences

    Science.gov (United States)

    Benzel, T.; Cho, Y. H.; Deschon, A.; Gullapalli, S.; Silva, F.

    2009-12-01

    In recent years, advances in sensor network technology have shown great promise to revolutionize environmental data collection. Still, wide spread adoption of these systems by domain experts has been lacking, and these have remained the purview of the engineers who design them. While there are many data logging options for basic data collection in the field currently, scientists are often required to visit the deployment sites to retrieve their data and manually import it into spreadsheets. Some advanced commercial software systems do allow scientists to collect data remotely, but most of these systems only allow point-to-point access, and require proprietary hardware. Furthermore, these commercial solutions preclude the use of sensors from other manufacturers or integration with internet based database repositories and compute engines. Therefore, scientists often must download and manually reformat their data before uploading it to the repositories if they wish to share their data. We present an open-source, low-cost, extensible, turnkey solution called Sensor Processing and Acquisition Network (SPAN) which provides a robust and flexible sensor network service. At the deployment site, SPAN leverages low-power generic embedded processors to integrate variety of commercially available sensor hardware to the network of environmental observation systems. By bringing intelligence close to the sensed phenomena, we can remotely control configuration and re-use, establish rules to trigger sensor activity, manage power requirements, and control the two-way flow of sensed data as well as control information to the sensors. Key features of our design include (1) adoption of a hardware agnostic architecture: our solutions are compatible with several programmable platforms, sensor systems, communication devices and protocols. (2) information standardization: our system supports several popular communication protocols and data formats, and (3) extensible data support: our

  5. CAMPHORQUINONE AS A PHOTOINITIATOR IN THE POLYMERIZATION OF 2-HYDROXYETHYL METHACRYLATE IN AQUEOUS SOLUTION: A KINETIC STUDY

    Directory of Open Access Journals (Sweden)

    Iqbal Ahmad

    2017-06-01

    Full Text Available The photoinitiated polymerization of 2-hydroxyethyl methacrylate (HEMA (1-3 M using camphorquinone (CQ \\ triethanolamine (TEOHA system has been studied in the pH range 6.0-9.0. The kinetics of the reaction has been evaluated during the initial stages causing about 5% HEMA conversion to avoid the effects of any variation in the volume of the solution. The change in the concentration of HEMA during polymerization has been determined by a UV spectrometric method at 208 nm with a precision of 3%. The apparent first-order rate constants (kobs for the polymerization of HEMA by CQ in the presence of 0.01 M TEOHA, carried out up to 100 s, range from 3.35-7.78 (1 M, 2.72-6.78 (2 M and 2.33`5.89x104 s-1(3 M. The second-order rate constants for the interaction of TEOHA radicals with HEMA (1-3 M range from 2.33-7.78x10-2 M 1 s-lat pH 6.0-9.0 indicating an increase in the reactivity of TEOHA radicals with an increase in the pH of the solution. There is a linear relation between kobs (1-3 M HEMA and inverse of solution viscosity suggesting the quenching of CQ excited state with an increase in the viscosity of the medium.

  6. Effect of medium acidity on the thermodynamics and kinetics of the reaction of pyridoxal 5'-phosphate with isoniazid in an aqueous solution

    Science.gov (United States)

    Gamov, G. A.; Zavalishin, M. N.; Usacheva, T. R.; Sharnin, V. A.

    2017-05-01

    Thermodynamic characteristics of the formation of the Schiff base between isoniazid and pyridoxal 5'-phosphate in an aqueous solution at different pH values of a medium are determined by means of spectrophotometry and calorimetric titration. The process kinetics is studied spectrophotometrically, and the reaction rate constants for the formation of the imine at different acidities of a medium are determined. Biochemical aspects of the binding of pyridoxal 5'-phosphate into stable compounds are discussed.

  7. Impact of vacancy-solute clusters on the aging of α-Fe solid solutions

    International Nuclear Information System (INIS)

    Schuler, Thomas

    2015-01-01

    Understanding and monitoring the aging of steels under vacancy supersaturation is a challenge of great practical interest for many industrial groups, and most of all for those related to nuclear energy. These steels always contain interstitial solutes, either as alloying elements or as impurities, and vacancies (V) that are equilibrium structural defects of materials. We have chosen the Fe-V -X system (X = C, N or O) as a model system for ferritic steels. Vacancy-solute clusters are likely to form in such systems because, despite the very low concentrations of their components, these cluster show very high attractive bonding. First of all, we have been working on the computation of intrinsic equilibrium properties of individual clusters, both thermodynamic (free binding energies) and kinetic (mobilities, dissociation coefficients, and their relationship with continuum diffusion) properties. Thanks to this atomic-scale characterization procedure, we have been able to highlight various effects of these clusters on a macroscopic system containing different cluster types: increase of solute solubility limits and total vacancy concentrations, flux couplings between interstitial solutes and vacancies, acceleration of solute precipitation kinetics and precipitate dissolution by solid solution stabilization due to vacancies. These results would not have been obtained without the development and/or extension of analytical methods in statistical physics which are able to describe cluster's components and their interactions at the atomic scale. Finally, we have also been working on cavities in α-iron, the study of which requires a different approach. Our study highlights the impact of the atomic discrete lattice on the equilibrium shape of cavities, and describes various kinetic mechanisms of these objects at the atomic scale. (author) [fr

  8. Schema Versioning for Multitemporal Relational Databases.

    Science.gov (United States)

    De Castro, Cristina; Grandi, Fabio; Scalas, Maria Rita

    1997-01-01

    Investigates new design options for extended schema versioning support for multitemporal relational databases. Discusses the improved functionalities they may provide. Outlines options and basic motivations for the new design solutions, as well as techniques for the management of proposed schema versioning solutions, includes algorithms and…

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

    African Journals Online (AJOL)

    This paper evaluated selected Biochemical Oxygen Demand first order kinetics methods. Domesticinstitutional wastewaters were collected twice in a month for three months from the Obafemi Awolowo University, Ile-Ife waste stabilization ponds. Biochemical Oxygen Demand concentrations at different days were determined ...

  10. To the problem on formation kinetics of absorption and polylayer films in anodic oxidation of cadmium in alkali hydroxides. Kinetics of irreversible absorption of oxide

    International Nuclear Information System (INIS)

    Grachev, D.K.

    1978-01-01

    An attempt is made to substantiate the formation of adsorption and polylayer films on cadmium electrode during its oxidation in KOH diluted solutions based on the interpretation of data from methods of the potential control. Using relaxation methods (voltammetry and chronoammetry) the conditions were determined at which irreversible abd sorption kinetics of the passivating oxide turns out to dominate the anodic dissolution process in the KOH 1-0.1 N solutions. Parts of monolayer and polylayer surface filling are shown. Kinetics of monolayer oxide growth is interpreted based on the Temkin-Zeldovich type equation for irreversible adsorption process. Ways of the kinetic equation precision are discussed for its full correspondence with the experiment obtained

  11. Equilibrium, kinetics and thermodynamics studies of chitosan-based solid phase nanoparticles as sorbent for lead (II) cations from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shaker, Medhat A., E-mail: drmashaker@yahoo.com [Current address: Chemistry Department, Faculty of Science, University of Jeddah, Jeddah (Saudi Arabia); Permanent address: Chemistry Department, Faculty of Science, Damanhour University, Damanhour (Egypt)

    2015-07-15

    Ternary nanoparticles of chitosan, non-viable biomass (Pseudomonas sp.) and gelatin, CPG were synthesized by chemical crosslinking method and applied as a novel and cost-effective solid phase to adsorb Pb(II) cations from aqueous solution. Characterization of the fabricated CPG nanoparticles and their complexation behavior were extensively interrogated by dynamic light scattering (DLS), FTIR, TGA, XRD and SEM techniques. The extent of adsorption was found to be a function of medium pH, contact time, initial Pb(II) concentration and temperature. The Langmuir, Freundlich, Dubinin–Radushkevich and Redlich–Peterson models were used to illustrate the isotherms of the adsorption system. The adsorption of Pb(II) cations onto CPG best-fits the Langmuir isotherm model which predicts two stoichiometric temperature-independent adsorption sites, A and B with variable capacities, 35.4 and 91.1 mg g{sup −1}, respectively and removal capacity above 90%. Thermodynamic studies revealed that the adsorption process was physical, spontaneous, and endothermic. The adsorption rate is influenced by temperature and the adsorption kinetic is well confirmed with pseudo-second-order equation compared with three other investigated kinetic models. Present study indicated potential applications of CPG nanoparticles as excellent natural and promising solid phase for Pb(II) extraction in wastewater treatment. - Graphical abstract: Display Omitted - Highlights: • Kinetics and thermodynamics of Pb{sup 2+} biosorption onto CPG nanoparticles are studied. • Adsorption kinetic data are best modeled using second-order rate equations. • The Pb{sup 2}adsorption onto CPG was physical diffusion controlled reaction. • The experimental equilibrium results well fit the Langmuir model. • The thermodynamics show endothermic, favorable and spontaneous adsorption processes.

  12. Development of a personalized training system using the Lung Image Database Consortium and Image Database resource Initiative Database.

    Science.gov (United States)

    Lin, Hongli; Wang, Weisheng; Luo, Jiawei; Yang, Xuedong

    2014-12-01

    The aim of this study was to develop a personalized training system using the Lung Image Database Consortium (LIDC) and Image Database resource Initiative (IDRI) Database, because collecting, annotating, and marking a large number of appropriate computed tomography (CT) scans, and providing the capability of dynamically selecting suitable training cases based on the performance levels of trainees and the characteristics of cases are critical for developing a efficient training system. A novel approach is proposed to develop a personalized radiology training system for the interpretation of lung nodules in CT scans using the Lung Image Database Consortium (LIDC) and Image Database Resource Initiative (IDRI) database, which provides a Content-Boosted Collaborative Filtering (CBCF) algorithm for predicting the difficulty level of each case of each trainee when selecting suitable cases to meet individual needs, and a diagnostic simulation tool to enable trainees to analyze and diagnose lung nodules with the help of an image processing tool and a nodule retrieval tool. Preliminary evaluation of the system shows that developing a personalized training system for interpretation of lung nodules is needed and useful to enhance the professional skills of trainees. The approach of developing personalized training systems using the LIDC/IDRL database is a feasible solution to the challenges of constructing specific training program in terms of cost and training efficiency. Copyright © 2014 AUR. Published by Elsevier Inc. All rights reserved.

  13. Hydrogen electrode reaction: A complete kinetic description

    International Nuclear Information System (INIS)

    Quaino, P.M.; Gennero de Chialvo, M.R.; Chialvo, A.C.

    2007-01-01

    The kinetic description of the hydrogen electrode reaction (HER) in the whole range of overpotentials (-0.2 < η (V) < 0.40) is presented. The Volmer-Heyrovsky-Tafel mechanism was solved considering simultaneously the following items: (i) the diffusional contribution of the molecular hydrogen from and towards the electrode surface, (ii) the forward and backward reaction rates of each elementary step and (iii) a Frumkin type adsorption for the reaction intermediate. In order to verify the descriptive capability of the kinetic expressions derived, an experimental study of the HER was carried out on a rotating platinum disc electrode in acid solution. From the correlation of these results the elementary kinetic parameters were evaluated and several aspects related to the kinetic mechanism were discussed. Finally, the use of these kinetic expressions to interpret results obtained on microelectrodes is also analysed

  14. Calcite Dissolution Kinetics

    Science.gov (United States)

    Berelson, W.; Subhas, A.; Dong, S.; Naviaux, J.; Adkins, J. F.

    2016-12-01

    A geological buffer for high atmospheric CO2 concentrations is neutralization via reaction with CaCO3. We have been studying the dissolution kinetics of carbonate minerals using labeled 13C calcite and Picarro-based measurements of 13C enrichments in solution DIC. This methodology has greatly facilitated our investigation of dissolution kinetics as a function of water carbonate chemistry, temperature and pressure. One can adjust the saturation state Omega by changing the ion activity product (e.g. adjusting carbonate ion concentration), or by changing the solubility product (e.g. adjusting temperature or pressure). The canonical formulation of dissolution rate vs. omega has been refined (Subhas et al. 2015) and shows distinct non-linear behavior near equilibrium and rates in sea water of 1-3 e-6 g/cm2day at omega = 0.8. Carbonic anhydrase (CA), an enzyme that catalyzes the hydration of dissolved CO2 to carbonic acid, was shown (in concentrations 500x. This result points to the importance of carbonic acid in enhancing dissolution at low degrees of undersaturation. CA activity and abundance in nature must be considered regarding the role it plays in catalyzing dissolution. We also have been investigating the role of temperature on dissolution kinetics. An increase of 16C yields an order of magnitude increase in dissolution rate. Temperature (and P) also change Omega critical, the saturation state where dissolution rates change substantially. Increasing pressure (achieved in a pressure reaction chamber we built) also shifts Omega critical closer to equilibrium and small pressure increases have large impact on dissolution kinetics. Dissolution rates are enhanced by an order of magnitude for a change in pressure of 1500 psi relative to the dissolution rate achieved by water chemistry effects alone for an omega of 0.8. We've shown that the thermodynamic determination of saturation state does not adequately describe the kinetics of dissolution. The interplay of mineral

  15. Application of soft- and hard-modelling approaches to resolution of kinetics of electron donor-acceptor complex formation of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone with imipramine in different solutions

    International Nuclear Information System (INIS)

    Hasani, Masoumeh; Shariati-Rad, Masoud; Abdollahi, Hamid

    2009-01-01

    Kinetics of electron donor-acceptor (EDA) complex formation of imipramine and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) was investigated spectrophotometrically in acetonitrile, 1,2-dichloroethane, and chloroform solutions using soft- and hard-modelling approaches. From the results of exploratory analysis of kinetic data and the spectral changes by soft-modelling approaches, evolving factor analysis (EFA) and orthogonal projection approach (OPA), a consecutive two-steps reaction with two intermediates was proposed for the process in acetonitrile and 1,2-dichloroethane media and one with a single intermediate in chloroform solution. Secondly, by applying, multivariate nonlinear least squares hard-modelling approach on the collected experimental kinetic data matrix, the nonlinear parameters (rate constants) as well as the linear parameters (spectral profiles) were obtained by fitting the collected experimental kinetic data matrix to the proposed model. Small values of standard deviation in the resulting parameters and sum of squares of the residuals (ssq) obtained showed the proper selection of the model. Furthermore, the values of lack of fit and percent of explained variance confirmed the correct identified models. Identification of the model with the aid of soft-modelling approaches followed by application of the hard-modelling approaches decreases significantly the rotational ambiguity associated with the obtained concentration and spectral profiles. Variations in the kinetic constants were in complete agreement with the model proposed and the solvent polarities

  16. Application of soft- and hard-modelling approaches to resolution of kinetics of electron donor-acceptor complex formation of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone with imipramine in different solutions

    Energy Technology Data Exchange (ETDEWEB)

    Hasani, Masoumeh [Faculty of Chemistry, Bu-Ali Sina University, Mahdieh, Hamedan, 65174 (Iran, Islamic Republic of)], E-mail: hasani@basu.ac.ir; Shariati-Rad, Masoud [Faculty of Chemistry, Bu-Ali Sina University, Mahdieh, Hamedan, 65174 (Iran, Islamic Republic of); Abdollahi, Hamid [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan (Iran, Islamic Republic of)

    2009-03-23

    Kinetics of electron donor-acceptor (EDA) complex formation of imipramine and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) was investigated spectrophotometrically in acetonitrile, 1,2-dichloroethane, and chloroform solutions using soft- and hard-modelling approaches. From the results of exploratory analysis of kinetic data and the spectral changes by soft-modelling approaches, evolving factor analysis (EFA) and orthogonal projection approach (OPA), a consecutive two-steps reaction with two intermediates was proposed for the process in acetonitrile and 1,2-dichloroethane media and one with a single intermediate in chloroform solution. Secondly, by applying, multivariate nonlinear least squares hard-modelling approach on the collected experimental kinetic data matrix, the nonlinear parameters (rate constants) as well as the linear parameters (spectral profiles) were obtained by fitting the collected experimental kinetic data matrix to the proposed model. Small values of standard deviation in the resulting parameters and sum of squares of the residuals (ssq) obtained showed the proper selection of the model. Furthermore, the values of lack of fit and percent of explained variance confirmed the correct identified models. Identification of the model with the aid of soft-modelling approaches followed by application of the hard-modelling approaches decreases significantly the rotational ambiguity associated with the obtained concentration and spectral profiles. Variations in the kinetic constants were in complete agreement with the model proposed and the solvent polarities.

  17. Analytical representation of the solution of the space kinetic diffusion equation in a one-dimensional and homogeneous domain

    Energy Technology Data Exchange (ETDEWEB)

    Tumelero, Fernanda; Bodmann, Bardo E. J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul (PROMEC/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos Graduacao em Engenharia Mecanica; Lapa, Celso M.F., E-mail: fernanda.tumelero@yahoo.com.br, E-mail: bardo.bodmann@ufrgs.br, E-mail: mtmbvilhena@gmail.com, E-mail: lapa@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2017-07-01

    In this work we solve the space kinetic diffusion equation in a one-dimensional geometry considering a homogeneous domain, for two energy groups and six groups of delayed neutron precursors. The proposed methodology makes use of a Taylor expansion in the space variable of the scalar neutron flux (fast and thermal) and the concentration of delayed neutron precursors, allocating the time dependence to the coefficients. Upon truncating the Taylor series at quadratic order, one obtains a set of recursive systems of ordinary differential equations, where a modified decomposition method is applied. The coefficient matrix is split into two, one constant diagonal matrix and the second one with the remaining time dependent and off-diagonal terms. Moreover, the equation system is reorganized such that the terms containing the latter matrix are treated as source terms. Note, that the homogeneous equation system has a well known solution, since the matrix is diagonal and constant. This solution plays the role of the recursion initialization of the decomposition method. The recursion scheme is set up in a fashion where the solutions of the previous recursion steps determine the source terms of the subsequent steps. A second feature of the method is the choice of the initial and boundary conditions, which are satisfied by the recursion initialization, while from the rst recursion step onward the initial and boundary conditions are homogeneous. The recursion depth is then governed by a prescribed accuracy for the solution. (author)

  18. Implicit unified gas-kinetic scheme for steady state solutions in all flow regimes

    Science.gov (United States)

    Zhu, Yajun; Zhong, Chengwen; Xu, Kun

    2016-06-01

    This paper presents an implicit unified gas-kinetic scheme (UGKS) for non-equilibrium steady state flow computation. The UGKS is a direct modeling method for flow simulation in all regimes with the updates of both macroscopic flow variables and microscopic gas distribution function. By solving the macroscopic equations implicitly, a predicted equilibrium state can be obtained first through iterations. With the newly predicted equilibrium state, the evolution equation of the gas distribution function and the corresponding collision term can be discretized in a fully implicit way for fast convergence through iterations as well. The lower-upper symmetric Gauss-Seidel (LU-SGS) factorization method is implemented to solve both macroscopic and microscopic equations, which improves the efficiency of the scheme. Since the UGKS is a direct modeling method and its physical solution depends on the mesh resolution and the local time step, a physical time step needs to be fixed before using an implicit iterative technique with a pseudo-time marching step. Therefore, the physical time step in the current implicit scheme is determined by the same way as that in the explicit UGKS for capturing the physical solution in all flow regimes, but the convergence to a steady state speeds up through the adoption of a numerical time step with large CFL number. Many numerical test cases in different flow regimes from low speed to hypersonic ones, such as the Couette flow, cavity flow, and the flow passing over a cylinder, are computed to validate the current implicit method. The overall efficiency of the implicit UGKS can be improved by one or two orders of magnitude in comparison with the explicit one.

  19. New e-learning method using databases

    Directory of Open Access Journals (Sweden)

    Andreea IONESCU

    2012-10-01

    Full Text Available The objective of this paper is to present a new e-learning method that use databases. The solution could pe implemented for any typeof e-learning system in any domain. The article will purpose a solution to improve the learning process for virtual classes.

  20. A mathematical model for iodine kinetics

    International Nuclear Information System (INIS)

    Silva, E.A.T. da.

    1976-01-01

    A mathematical model for the iodine kinetics in thyroid is presented followed by its analytical solution. An eletroanalogical model is also developed for a simplified stage and another is proposed for the main case [pt

  1. Solution of the point kinetics equations in the presence of Newtonian temperature feedback by Pade approximations via the analytical inversion method

    International Nuclear Information System (INIS)

    Aboanber, A E; Nahla, A A

    2002-01-01

    A method based on the Pade approximations is applied to the solution of the point kinetics equations with a time varying reactivity. The technique consists of treating explicitly the roots of the inhour formula. A significant improvement has been observed by treating explicitly the most dominant roots of the inhour equation, which usually would make the Pade approximation inaccurate. Also the analytical inversion method which permits a fast inversion of polynomials of the point kinetics matrix is applied to the Pade approximations. Results are presented for several cases of Pade approximations using various options of the method with different types of reactivity. The formalism is applicable equally well to non-linear problems, where the reactivity depends on the neutron density through temperature feedback. It was evident that the presented method is particularly good for cases in which the reactivity can be represented by a series of steps and performed quite well for more general cases

  2. Quantum kinetics of a superconducting tunnel junction: Theory and comparison with experiment

    International Nuclear Information System (INIS)

    Chow, K.S.; Browne, D.A.; Ambegaokar, V.

    1988-01-01

    We develop a kinetic theory for the real-time response of a quantum particle interacting with a macroscopic reservoir. We discuss the equilibrium and long-time behavior of the solution of the kinetic equation for such a system. In the limit of low damping, the kinetic equation reduces to a master equation. Using the theory to model a Josephson junction loaded with an external impedance, we make contact with the experiments of Clark, Devoret, Esteve, and Martinis. We argue that a stationary solution of the master equation sufficiently describes the experiments, and make detailed comparison with data

  3. Stiffness Confinement Method with Pseudo Absorption for Spatial Kinetics

    International Nuclear Information System (INIS)

    Park, Beom Woo; Joo, Han Gyu; Chao, Yungan

    2013-01-01

    The primary advantage of the SCM is that it is possible to use larger time step sizes. This advantage comes from the fact because the SCM involves the solution of an eigenvalue problem instead of the ordinary form of a fixed source problem. Since using a large time step size is strongly desired in the direct whole core transport calculation for transient problems, we investigate here the SCM for spatial kinetics first with a simple one-dimensional, one-group diffusion equation and propose an improved formulation. The performance of the improved SCM for spatial kinetics is assessed by comparing the SCM solutions with the standard method solutions employing the Crank-Nicholson method with exponential transform. The stiffness confinement method for spatial kinetics was refined with the pseudo absorption term representing the dynamic frequencies. It was verified that the proposed SCM works much better than the Crank-Nicholson method with exponential transform in that time step sizes larger than 20 msec can be using in a super prompt-critical transient involving 1.5$ reactivity insertion

  4. Stiffness Confinement Method with Pseudo Absorption for Spatial Kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Park, Beom Woo; Joo, Han Gyu [Seoul National Univ., Seoul (Korea, Republic of); Chao, Yungan [Retired in China, Beijing (China)

    2013-05-15

    The primary advantage of the SCM is that it is possible to use larger time step sizes. This advantage comes from the fact because the SCM involves the solution of an eigenvalue problem instead of the ordinary form of a fixed source problem. Since using a large time step size is strongly desired in the direct whole core transport calculation for transient problems, we investigate here the SCM for spatial kinetics first with a simple one-dimensional, one-group diffusion equation and propose an improved formulation. The performance of the improved SCM for spatial kinetics is assessed by comparing the SCM solutions with the standard method solutions employing the Crank-Nicholson method with exponential transform. The stiffness confinement method for spatial kinetics was refined with the pseudo absorption term representing the dynamic frequencies. It was verified that the proposed SCM works much better than the Crank-Nicholson method with exponential transform in that time step sizes larger than 20 msec can be using in a super prompt-critical transient involving 1.5$ reactivity insertion.

  5. Adsorption of cadmium from aqueous solution onto untreated coffee grounds: Equilibrium, kinetics and thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Azouaou, N., E-mail: azouaou20@yahoo.fr [Laboratory of Reaction Genius, Faculty of Mechanical and Processes Genius, University of Sciences and Technology Houari - Boumediene, USTHB, BP no 32 El Alia bab ezzouar, 16111 Algiers (Algeria); Sadaoui, Z. [Laboratory of Reaction Genius, Faculty of Mechanical and Processes Genius, University of Sciences and Technology Houari - Boumediene, USTHB, BP no 32 El Alia bab ezzouar, 16111 Algiers (Algeria); Djaafri, A. [Central laboratory, SEAAL, 97 Parc ben omar, Kouba, Algiers (Algeria); Mokaddem, H. [Laboratory of Reaction Genius, Faculty of Mechanical and Processes Genius, University of Sciences and Technology Houari - Boumediene, USTHB, BP no 32 El Alia bab ezzouar, 16111 Algiers (Algeria)

    2010-12-15

    Adsorption can be used as a cost effective and efficient technique for the removal of toxic heavy metals from wastewater. Waste materials with no further treatment such as coffee grounds from cafeterias may act as adsorbents for the removal of cadmium. Batch kinetic and equilibrium experiments were conducted to study the effects of contact time, adsorbent dose, initial pH, particle size, initial concentration of cadmium and temperature. Three adsorption isotherm models namely, Langmuir, Freundlich and Dubinin-Radushkevich were used to analyse the equilibrium data. The Langmuir isotherm which provided the best correlation for Cd{sup 2+} adsorption onto coffee grounds, shows that the adsorption was favourable and the adsorption capacity found was equal to 15.65 mg g{sup -1}. Thermodynamic parameters were evaluated and the adsorption was exothermic. The equilibrium was achieved less than 120 min. The adsorption kinetic data was fitted with first and second order kinetic models. Finally it was concluded that the cadmium adsorption kinetic onto coffee grounds was well fitted by second order kinetic model rather than first order model. The results suggest that coffee grounds have high possibility to be used as effective and economical adsorbent for Cd{sup 2+} removal.

  6. Adsorption of cadmium from aqueous solution onto untreated coffee grounds: Equilibrium, kinetics and thermodynamics

    International Nuclear Information System (INIS)

    Azouaou, N.; Sadaoui, Z.; Djaafri, A.; Mokaddem, H.

    2010-01-01

    Adsorption can be used as a cost effective and efficient technique for the removal of toxic heavy metals from wastewater. Waste materials with no further treatment such as coffee grounds from cafeterias may act as adsorbents for the removal of cadmium. Batch kinetic and equilibrium experiments were conducted to study the effects of contact time, adsorbent dose, initial pH, particle size, initial concentration of cadmium and temperature. Three adsorption isotherm models namely, Langmuir, Freundlich and Dubinin-Radushkevich were used to analyse the equilibrium data. The Langmuir isotherm which provided the best correlation for Cd 2+ adsorption onto coffee grounds, shows that the adsorption was favourable and the adsorption capacity found was equal to 15.65 mg g -1 . Thermodynamic parameters were evaluated and the adsorption was exothermic. The equilibrium was achieved less than 120 min. The adsorption kinetic data was fitted with first and second order kinetic models. Finally it was concluded that the cadmium adsorption kinetic onto coffee grounds was well fitted by second order kinetic model rather than first order model. The results suggest that coffee grounds have high possibility to be used as effective and economical adsorbent for Cd 2+ removal.

  7. Removal of Cr(VI Ions from Aqueous Solutions Using Nickel Ferrite Nanoparticles: Kinetic and Equilibrium Study

    Directory of Open Access Journals (Sweden)

    Raziyeh Zandi Pak

    2017-01-01

    Full Text Available Background & Aims of the Study: Heavy metals are the most important and main pollutants because of their accumulation and high toxicity even at very low dose and cause serious hazards to ecological system as well as human health. Thus, their removal has been challenged from drinking water and industrial waters with different technologies. The purpose of this work is to investigate the removal of Cr(VI from aqueous solutions. Materials & Methods: NiFe2O4 nanoparticles was prepared by the co-precipitation method and then applied for adsorption of Cr(VI ions from water. Characterization of nanoparticles was carried out via TEM, EDX, XRD and BET analysis. Various physico-chemical parameters like the effect of contact time, pH and adsorbent dose were studied, using batch process to optimize conditions for maximum adsorption. Results: The results demonstrated that the size of the NiFe2O4 nanoparticles was about 12 nm and had selectivity for Cr(VI adsorption. Also, adsorption process was found to be fast with equilibrium time of 55 min. Optimum pH was found to be 3. Maximum adsorption capacity (qm as calculated from Langmuir isotherm was found to be 294.1 mg g-1. Analysis of adsorption kinetics indicated better applicability of pseudo-second-order kinetic model. Conclusions: The results of this study represented that the synthesized NiFe2O4 nanoparticles could be useful for the simultaneous removal of anionic ions from wastewaters.

  8. Green Synthesis of Zinc Oxide Nanoparticles for Enhanced Adsorption of Lead Ions from Aqueous Solutions: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    Susan Azizi

    2017-06-01

    Full Text Available In the present study, ZnO nanoparticles (NPs were synthesized in zerumbone solution by a green approach and appraised for their ability to absorb Pb(II ions from aqueous solution. The formation of as-synthesized NPs was established by X-ray diffraction (XRD, Transmission Electron Microscopy (TEM, and UV–visible studies. The XRD and TEM analyses revealed high purity and wurtzite hexagonal structure of ZnO NPs with a mean size of 10.01 ± 2.6 nm. Batch experiments were performed to investigate the impact of process parameters viz. Pb(II concentration, pH of solution, adsorbent mass, solution temperature, and contact time variations on the removal efficiency of Pb(II. The adsorption isotherm data provided that the adsorption process was mainly monolayer on ZnO NPs. The adsorption process follows pseudo-second-order reaction kinetic. The maximum removal efficiencies were 93% at pH 5. Thermodynamic parameters such as enthalpy change (ΔH0, free energy change (ΔG0, and entropy change (ΔS0 were calculated; the adsorption process was spontaneous and endothermic. The good efficiency of the as-synthesized NPs makes them attractive for applications in water treatment, for removal of heavy metals from aqueous system.

  9. Instabilities and chaos in a kinetic equation for active nematics

    International Nuclear Information System (INIS)

    Shi, Xia-qing; Ma, Yu-qiang; Chaté, Hugues

    2014-01-01

    We study dry active nematics at the kinetic equation level, stressing the differences with the well-known Doi theory for non-active rods near thermal equilibrium. By deriving hydrodynamic equations from the kinetic equation, we show analytically that these two description levels share the same qualitative phase diagram, as defined by the linear instability limits of spatially-homogeneous solutions. In particular, we show that the ordered, homogeneous state is unstable in a region bordering the linear onset of nematic order, and is only linearly stable deeper in the ordered phase. Direct simulations of the kinetic equation reveal that its solutions are chaotic in the region of linear instability of the ordered homogeneous state. The local mechanisms for this large-scale chaos are discussed. (paper)

  10. Adsorption of Ag (I) from aqueous solution by waste yeast: kinetic, equilibrium and mechanism studies.

    Science.gov (United States)

    Zhao, Yufeng; Wang, Dongfang; Xie, Hezhen; Won, Sung Wook; Cui, Longzhe; Wu, Guiping

    2015-01-01

    One type of biosorbents, brewer fermentation industry waste yeast, was developed to adsorb the Ag (I) in aqueous solution. The result of FTIR analysis of waste yeast indicated that the ion exchange, chelating and reduction were the main binding mechanisms between the silver ions and the binding sites on the surface of the biomass. Furthermore, TEM, XRD and XPS results suggested that Ag(0) nanoparticles were deposited on the surface of yeast. The kinetic experiments revealed that sorption equilibrium could reach within 60 min, and the removal efficiency of Ag (I) could be still over 93 % when the initial concentration of Ag (I) was below 100 mg/L. Thermodynamic parameters of the adsorption process (ΔG, ΔH and ΔS) identified that the adsorption was a spontaneous and exothermic process. The waste yeast, playing a significant role in the adsorption of the silver ions, is useful to fast adsorb Ag (I) from low concentration.

  11. Generalized kinetic model of reduction of molecular oxidant by metal containing redox

    International Nuclear Information System (INIS)

    Kravchenko, T.A.

    1986-01-01

    Present work is devoted to kinetics of reduction of molecular oxidant by metal containing redox. Constructed generalized kinetic model of redox process in the system solid redox - reagent solution allows to perform the general theoretical approach to research and to obtain new results on kinetics and mechanism of interaction of redox with oxidants.

  12. Investigation of Acorn fruit Ash Efficiency in Cadmium Removal from Aqueous Solutions: Adsorption Isotherm and Kinetic Studies

    Directory of Open Access Journals (Sweden)

    Salman Zarei

    2014-12-01

    Full Text Available Background: Heavy metals are known as significant pollutants because of toxicity and nonbiodegradable characteristics. Cadmium is one of the heavy metals that have carcinogen potential. So, this study carried out in order to investigate the acorn fruit ash efficiency in cadmium removal from aqueous solutions. Methods: This study was done in the batch laboratory conditions. In this study, the effect of different parameters including pH, contact time, adsorbent dose, and initial cadmium concentration were evaluated. The Langmuir, Freundlich and Temkin isotherm models were used for analysis of the equilibrium isotherm. Adsorption kinetics of cadmium by different models were also investigated. The measurement of residual cadmium in the samples was determined by atomic absorption spectrophotometry at 228.8 nm. The SPSS-16 software was used for analysis of data. Results: According to the results, the maximum adsorption capacity of cadmium was 9.29 mg/g at pH=7 and 8 g/L adsorbent dose. The removal efficiency was increased with increasing contact time and decreased with increasing of cadmium initial concentration. Investigation of achieving data showed that the adsorption process followed better by Freundlich isotherm and the pseudo-second order kinetic. Conclusions: According to the results of this study, it could be concluded that the acorn fruit ash had high ability in cadmium adsorption and could be used as a cheap adsorbent in the removal of cadmium.

  13. Integrated design of Nb-based superalloys: Ab initio calculations, computational thermodynamics and kinetics, and experimental results

    International Nuclear Information System (INIS)

    Ghosh, G.; Olson, G.B.

    2007-01-01

    An optimal integration of modern computational tools and efficient experimentation is presented for the accelerated design of Nb-based superalloys. Integrated within a systems engineering framework, we have used ab initio methods along with alloy theory tools to predict phase stability of solid solutions and intermetallics to accelerate assessment of thermodynamic and kinetic databases enabling comprehensive predictive design of multicomponent multiphase microstructures as dynamic systems. Such an approach is also applicable for the accelerated design and development of other high performance materials. Based on established principles underlying Ni-based superalloys, the central microstructural concept is a precipitation strengthened system in which coherent cubic aluminide phase(s) provide both creep strengthening and a source of Al for Al 2 O 3 passivation enabled by a Nb-based alloy matrix with required ductile-to-brittle transition temperature, atomic transport kinetics and oxygen solubility behaviors. Ultrasoft and PAW pseudopotentials, as implemented in VASP, are used to calculate total energy, density of states and bonding charge densities of aluminides with B2 and L2 1 structures relevant to this research. Characterization of prototype alloys by transmission and analytical electron microscopy demonstrates the precipitation of B2 or L2 1 aluminide in a (Nb) matrix. Employing Thermo-Calc and DICTRA software systems, thermodynamic and kinetic databases are developed for substitutional alloying elements and interstitial oxygen to enhance the diffusivity ratio of Al to O for promotion of Al 2 O 3 passivation. However, the oxidation study of a Nb-Hf-Al alloy, with enhanced solubility of Al in (Nb) than in binary Nb-Al alloys, at 1300 deg. C shows the presence of a mixed oxide layer of NbAlO 4 and HfO 2 exhibiting parabolic growth

  14. Analysis of a kinetic multi-segment foot model part II: kinetics and clinical implications.

    Science.gov (United States)

    Bruening, Dustin A; Cooney, Kevin M; Buczek, Frank L

    2012-04-01

    Kinematic multi-segment foot models have seen increased use in clinical and research settings, but the addition of kinetics has been limited and hampered by measurement limitations and modeling assumptions. In this second of two companion papers, we complete the presentation and analysis of a three segment kinetic foot model by incorporating kinetic parameters and calculating joint moments and powers. The model was tested on 17 pediatric subjects (ages 7-18 years) during normal gait. Ground reaction forces were measured using two adjacent force platforms, requiring targeted walking and the creation of two sub-models to analyze ankle, midtarsal, and 1st metatarsophalangeal joints. Targeted walking resulted in only minimal kinematic and kinetic differences compared with walking at self selected speeds. Joint moments and powers were calculated and ensemble averages are presented as a normative database for comparison purposes. Ankle joint powers are shown to be overestimated when using a traditional single-segment foot model, as substantial angular velocities are attributed to the mid-tarsal joint. Power transfer is apparent between the 1st metatarsophalangeal and mid-tarsal joints in terminal stance/pre-swing. While the measurement approach presented here is limited to clinical populations with only minimal impairments, some elements of the model can also be incorporated into routine clinical gait analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. Reactor kinetics - pulse and steady state

    Energy Technology Data Exchange (ETDEWEB)

    Estes, B F; Morris, F M [Sandia Laboratories (United States)

    1974-07-01

    An analytical model has been developed which couples the nuclear and thermal characteristics of the Annular Core Pulse Reactor (ACPR) into a solution which describes both the neutron kinetics of the reactor and the temperature behavior of a fuel-moderator element. The model describes both pulse and steady state operations. This paper describes the important aspects of the reactor, the fuel- moderator elements, the neutron kinetic equations of the reactor, and the time-temperature behavior of a fuel-moderator element that is being subjected to the maximum power density in the core. The parameters which are utilized in the equations are divided into two classes, those that can be measured directly and those that are assumed to be known (each is described briefly). Some of the solutions which demonstrate the versatility of the analytical model are described. (author)

  16. Numerical solution of the kinetic equation in reactor shielding

    International Nuclear Information System (INIS)

    Germogenova, T.A.

    1975-01-01

    A review is made of methods of solving marginal problems of multi-group systems of equations of neutron and γ radiation transfer. The first stage of the solution - the quantification of the basic task, is determined by the qualitative behaviour of the solution - is the nature of its performance and asymptotics. In the second stage - solution of the approximating system, various modifications of the iterative method are as a rule used. A description is given of the features of the major Soviet complexes of programmes (ROZ and RADUGA) for the solution of multi-group systems of transfer equations and some methodological research findings are presented. (author)

  17. REMOVAL OF AN ACID DYE FROM AQUEOUS SOLUTIONS BY ADSORPTION ON A COMMERCIAL GRANULAR ACTIVATED CARBON: EQUILIBRIUM, KINETIC AND THERMODYNAMIC STUDY

    Directory of Open Access Journals (Sweden)

    Marius Sebastian Secula

    2011-12-01

    Full Text Available The present paper approaches the study of the adsorption of an acid dye on a commercial granular activated carbon (GAC. Batch experiments were conducted to study the equilibrium isotherms and kinetics of Indigo Carmine on GAC. The kinetic data were analyzed using the Lagargren, Ho, Elovich, Weber-Morris and Bangham models in order to establish the most adequate model that describes this process, and to investigate the rate of IC adsorption. Equilibrium data were fitted to Langmuir and Freundlich isotherms. Langmuir isotherm equilibrium model and Ho kinetic model fitted best the experimental data.The effects of temperature (25 – 45 °C, initial concentration of dye (7.5 – 150 mg•L−1, GAC dose (0.02 – 1 g•L-1, particle size (2 – 7 mm in diameter, solution pH (3 – 11 on GAC adsorption capacity were established. The adsorption process is found to be favored by a neutral pH, high values of temperature and small particle sizes. The highest adsorption capacity (133.8 mg•g-1 of the GAC is obtained at 45 °C. The removal efficiency increases with GAC dose at relatively low initial concentrations of dye. Thermodynamic parameters such as standard enthalpy (H, standard entropy (S and standard free energy (G were evaluated. The adsorption of Indigo Carmine onto GAC is an endothermic process.

  18. Hydrodynamics beyond Navier-Stokes: exact solution to the lattice Boltzmann hierarchy.

    Science.gov (United States)

    Ansumali, S; Karlin, I V; Arcidiacono, S; Abbas, A; Prasianakis, N I

    2007-03-23

    The exact solution to the hierarchy of nonlinear lattice Boltzmann (LB) kinetic equations in the stationary planar Couette flow is found at nonvanishing Knudsen numbers. A new method of solving LB kinetic equations which combines the method of moments with boundary conditions for populations enables us to derive closed-form solutions for all higher-order moments. A convergence of results suggests that the LB hierarchy with larger velocity sets is the novel way to approximate kinetic theory.

  19. Kinetics of radiation-induced precipitation at the alloy surface

    Science.gov (United States)

    Lam, N. Q.; Nguyen, T.; Leaf, G. K.; Yip, S.

    1988-05-01

    Radiation-induced precipitation of a new phase at the surface of an alloy during irradiation at elevated temperatures was studied with the aid of a kinetic model of segregation. The preferential coupling of solute atoms with the defect fluxes gives rise to a strong solute enrichment at the surface, which, if surpassing the solute solubility limit, leads to the formation of a precipitate layer. The moving precipitate/matrix interface was accommodated by means of a mathematical scheme that transforms spatial coordinates into a reference frame in which the boundaries are immobile. Sample calculations were performed for precipitation of the γ'-Ni 3Si layer on Ni-Si alloys undergoing electron irradiation. The dependences of the precipitation kinetics on the defect-production rate, irradiation temperature, internal defect sink concentration and alloy composition were investigated systematically.

  20. The thermodynamics and kinetics of interstitial solid solutions

    International Nuclear Information System (INIS)

    Silva, J.R.G. da.

    1976-04-01

    Studies of hydrogen metal systems where the hidrogen is disolved in a solid solution are presented. Particular items of interest are: the thermodynamics of the hydrogen-iron system; the solubility of hidrogen in super pure iron single crytals; the thermodinamic functions of hydrogen in solid solutions of Nb, Ta and V; and the solubility of hydrogen in α-manganese. The diffusion of carbon and nitrogen in BCC iron is also studied

  1. Compensation effect in H 2 permeation kinetics of PdAg membranes

    KAUST Repository

    Zeng, Gaofeng

    2012-08-30

    Knowledge about the (inter)dependence of permeation kinetic parameters on the stoichiometry of H 2-selective alloys is still rudimentary, although uncovering the underlying systematic correlations will greatly facilitate current efforts into the design of novel high-performance H 2 separation membranes. Permeation measurements with carefully engineered, 2-7 μm thick supported Pd 100-xAg x membranes reveal that the activation energy and pre-exponential factor of H 2 permeation laws vary systematically with alloy composition, and both kinetic parameters are strongly correlated for x ≤ 50. We show that this permeation kinetic compensation effect corresponds well with similar correlations in the hydrogen solution thermodynamics and diffusion kinetics of PdAg alloys that govern H 2 permeation rates. This effect enables the consistent description of permeation characteristics over wide temperature and alloy stoichiometry ranges, whereas hydrogen solution thermodynamics may play a role, too, as a yet unrecognized source of kinetic compensation in, for example, H 2-involving reactions over metal catalysts or hydrogenation/ dehydrogenation of hydrogen storage materials. © 2012 American Chemical Society.

  2. New Chemical Kinetics Approach for DSMC Applications to Nonequilibrium Flows, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — A new chemical kinetics model and database will be developed for aerothermodynamic analyses on entry vehicles. Unique features of this model include (1) the ability...

  3. New Chemical Kinetics Approach for DSMC Applications to Nonequilibrium Flows, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A new chemical kinetics model and database will be developed for aerothermodynamic analyses on entry vehicles. Unique features of this model include (1) the ability...

  4. A middle layer solution to support ACID properties for NoSQL databases

    Directory of Open Access Journals (Sweden)

    Ayman E. Lotfy

    2016-01-01

    Full Text Available The main objective of this paper is to keep the strengths of RDBMSs as consistency and ACID properties and at the same time providing the benefits that inspired the NoSQL movement through a middle layer. The proposed middle layer uses a four phase commit protocol to ensure: the use of recent data, the use of the Pessimistic technique to forbid others dealing with data while it is used and the data updates residing in many locations to avoid the loss of data and disappointment. This mechanism is required, especially in distributed database application NoSQL based environment, because allowing conflicting transactions to continue not only wastes constrained computing power and decreases bandwidth, but also exacerbates conflicts. The middle layer keeps tracking all running transactions and manages with other layers the execution of concurrent transactions. This solution will help increase both of the scalability, and throughput. Finally, the experimental results show that the throughput of the system improves on increasing the number of middle layers in scenarios and the amount of updates to read in a transaction increases. Also the data are consistent with executing many transactions related to each other through updating the same data. The scalability and availability of the system is not affected while ensuring strict consistency.

  5. Heuristic program to design Relational Databases

    Directory of Open Access Journals (Sweden)

    Manuel Pereira Rosa

    2009-09-01

    Full Text Available The great development of today’s world determines that the world level of information increases day after day, however, the time allowed to transmit this information in the classrooms has not changed. Thus, the rational work in this respect is more than necessary. Besides, if for the solution of a given type of problem we do not have a working algorism, we have, first to look for a correct solution, then the heuristic programs are of paramount importance to succeed in these aspects. Having into consideration that the design of the database is, essentially, a process of problem resolution, this article aims at proposing a heuristic program for the design of the relating database.

  6. Processes of aggression described by kinetic method

    Science.gov (United States)

    Aristov, V. V.; Ilyin, O.

    2014-12-01

    In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

  7. Processes of aggression described by kinetic method

    International Nuclear Information System (INIS)

    Aristov, V. V.; Ilyin, O.

    2014-01-01

    In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data

  8. Processes of aggression described by kinetic method

    Energy Technology Data Exchange (ETDEWEB)

    Aristov, V. V.; Ilyin, O. [Dorodnicyn Computing Centre of Russian Academy of Sciences, Vavilova str. 40, Moscow, 119333 (Russian Federation)

    2014-12-09

    In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

  9. CBS Genome Atlas Database: a dynamic storage for bioinformatic results and sequence data

    DEFF Research Database (Denmark)

    Hallin, Peter Fischer; Ussery, David

    2004-01-01

    , these results counts to more than 220 pieces of information. The backbone of this solution consists of a program package written in Perl, which enables administrators to synchronize and update the database content. The MySQL database has been connected to the CBS web-server via PHP4, to present a dynamic web...... and frequent addition of new models are factors that require a dynamic database layout. Using basic tools like the GNU Make system, csh, Perl and MySQL, we have created a flexible database environment for storing and maintaining such results for a collection of complete microbial genomes. Currently...... content for users outside the center. This solution is tightly fitted to existing server infrastructure and the solutions proposed here can perhaps serve as a template for other research groups to solve database issues....

  10. A kinetic equation for irreversible aggregation

    International Nuclear Information System (INIS)

    Zanette, D.H.

    1990-09-01

    We introduce a kinetic equation for describing irreversible aggregation in the ballistic regime, including velocity distributions. The associated evolution for the macroscopic quantities is studied, and the general solution for Maxwell interaction models is obtained in the Fourier representation. (author). 23 refs

  11. The kinetics and thermodynamics of adsorption of heavy metal ions ...

    African Journals Online (AJOL)

    Titanium-Pillared and Un-Pillared bentonite clays were studied in order to evaluate the thermodynamics and kinetics of heavy metal ion removal from aqueous solutions. The results showed that the maximum sorption of Cu, Cd, Hg and Pb ions occurred within 30 minutes. A pseudo-second order kinetic model was used to ...

  12. Saffman-Taylor fingers with kinetic undercooling

    KAUST Repository

    Gardiner, Bennett P. J.

    2015-02-23

    © 2015 American Physical Society. The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes.

  13. Saffman-Taylor fingers with kinetic undercooling

    KAUST Repository

    Gardiner, Bennett P. J.; McCue, Scott W.; Dallaston, Michael C.; Moroney, Timothy J.

    2015-01-01

    © 2015 American Physical Society. The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes.

  14. On the asymptotic preserving property of the unified gas kinetic scheme for the diffusion limit of linear kinetic models

    International Nuclear Information System (INIS)

    Mieussens, Luc

    2013-01-01

    The unified gas kinetic scheme (UGKS) of K. Xu et al. (2010) [37], originally developed for multiscale gas dynamics problems, is applied in this paper to a linear kinetic model of radiative transfer theory. While such problems exhibit purely diffusive behavior in the optically thick (or small Knudsen) regime, we prove that UGKS is still asymptotic preserving (AP) in this regime, but for the free transport regime as well. Moreover, this scheme is modified to include a time implicit discretization of the limit diffusion equation, and to correctly capture the solution in case of boundary layers. Contrary to many AP schemes, this method is based on a standard finite volume approach, it does neither use any decomposition of the solution, nor staggered grids. Several numerical tests demonstrate the properties of the scheme

  15. MARC and Relational Databases.

    Science.gov (United States)

    Llorens, Jose; Trenor, Asuncion

    1993-01-01

    Discusses the use of MARC format in relational databases and addresses problems of incompatibilities. A solution is presented that is in accordance with Open Systems Interconnection (OSI) standards and is based on experiences at the library of the Universidad Politecnica de Valencia (Spain). (four references) (EA)

  16. Analytical solution of the multigroup neutron diffusion kinetic equation in one-dimensional cartesian geometry by the integral transform technique

    International Nuclear Information System (INIS)

    Ceolin, Celina

    2010-01-01

    The objective of this work is to obtain an analytical solution of the neutron diffusion kinetic equation in one-dimensional cartesian geometry, to monoenergetic and multigroup problems. These equations are of the type stiff, due to large differences in the orders of magnitude of the time scales of the physical phenomena involved, which make them difficult to solve. The basic idea of the proposed method is applying the spectral expansion in the scalar flux and in the precursor concentration, taking moments and solving the resulting matrix problem by the Laplace transform technique. Bearing in mind that the equation for the precursor concentration is a first order linear differential equation in the time variable, to enable the application of the spectral method we introduce a fictitious diffusion term multiplied by a positive value which tends to zero. This procedure opened the possibility to find an analytical solution to the problem studied. We report numerical simulations and analysis of the results obtained with the precision controlled by the truncation order of the series. (author)

  17. The study of kinetics of uranyl nitrate extraction and reextraction, di-n-butylphosphoric acid reextraction in the flow mixer in the system aqueous solutions - tri-n-butyl phosphate in diluent

    International Nuclear Information System (INIS)

    Shchepetil'nikov, N.N.; Timofeev, A.N.; Kharitonov, V.V.

    1992-01-01

    Kinetics of uranyl nitrate and HNO 3 extraction and reextraction in a flow-type mixer for the system 30 vol.% TBP in extractant dearomatized diluent (EDD) was studied. Kinetics of dibutylphosphate acid reextraction was considered and the influence of uranium and zirconium presence on the process was investigated. It is shown that in laboratory mixer of continuous action in case of phase contact duration of 1 min. in system 30 % solution of TBP in EDD extraction sufficiently similar to equilibrium extraction of uranyl nitrate and nitric acid during their extraction and reextraction is achieved

  18. Recursive solutions for multi-group neutron kinetics diffusion equations in homogeneous three-dimensional rectangular domains with time dependent perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Claudio Z. [Universidade Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Bodmann, Bardo E.J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-graduacao em Engenharia Mecanica; Barros, Ricardo C. [Universidade do Estado do Rio de Janeiro, Nova Friburgo, RJ (Brazil). Inst. Politecnico

    2014-12-15

    In the present work we solve in analytical representation the three dimensional neutron kinetic diffusion problem in rectangular Cartesian geometry for homogeneous and bounded domains for any number of energy groups and precursor concentrations. The solution in analytical representation is constructed using a hierarchical procedure, i.e. the original problem is reduced to a problem previously solved by the authors making use of a combination of the spectral method and a recursive decomposition approach. Time dependent absorption cross sections of the thermal energy group are considered with step, ramp and Chebyshev polynomial variations. For these three cases, we present numerical results and discuss convergence properties and compare our results to those available in the literature.

  19. Kinetics and thermodynamics of adsorption of azinphosmethyl from aqueous solution onto pyrolyzed (at 600 deg. C) ocean peat moss (Sphagnum sp.)

    International Nuclear Information System (INIS)

    Aroguz, A.Z.

    2006-01-01

    The removal of azinphosmethyl from aqueous solution onto pyrolyzed ocean peat moss (Sphagnum sp.), as a residue, from the Rhode Island coast (USA), has been investigated at different temperatures and initial concentrations. The ocean peat moss had been pyrolyzed at 600 deg. C in nitrogen atmosphere before the adsorption process. The kinetic data obtained from batch studies have been analyzed using pseudo-first order kinetic model. The rate constants were evaluated at different temperatures. The thermodynamic parameters (ΔG o , ΔH o , ΔS o ) for the adsorption process were calculated and the results suggest that the nature of adsorption is endothermic and the process is spontaneous and favorable. The activation energy for adsorption process was estimated, about 18.3 kJ mol -1 . According to this value the adsorption of azinphosmethyl onto pyrolyzed ocean peat moss is in the range of physical adsorption. The experimental data have been modeled using Langmuir, Freundlich and Temkin isotherms. It was found that Langmuir and Freundlich isotherms give the best correlation with the experimental data

  20. Simulation of the microstructural evolution under irradiation of dilute Fe-CuNiMnSi alloys by atomic kinetic monte Carlo model based on ab initio data

    International Nuclear Information System (INIS)

    Vincent, E.; Domain, C.; Vincent, E.; Becquart, C.S.

    2008-01-01

    Full text of publication follows. The embrittlement and the hardening of pressure vessel steels under radiation has been correlated with the presence solutes such as Cu, Ni, Mn and Si. Indeed it has been observed that under irradiation, these solutes tend to gather to form more or less dilute clusters. The interactions of these solutes with radiation induced point defects thus need to be characterised properly in order to understand the elementary mechanisms behind the formation of these clusters. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects (vacancies as well as interstitials) with solute atoms in dilute FeX alloys (X Cu, Mn, Ni or Si) in order to build a database used to parameterize an atomic kinetic Monte Carlo model. The model has been applied to simulate thermal ageing as well as irradiation conditions in dilute Fe-CuNiMnSi alloys. Results obtained with this model will be presented. (authors)

  1. Removal of Hexavalent Chromium from Aqueous Solution by Modified Holly Sawdust: A Study of Equilibrium and Kinetics

    Directory of Open Access Journals (Sweden)

    S. Azizian

    2010-01-01

    Full Text Available Introduction & Objective: Industrial wastewaters including heavy metals, are among the important sources of environmental pollution. Heavy metals such as chromium are found in plating wastewater and is harmful for human health and environment. The purpose of the present study was to investigate the absorption of heavy metals such as chromium onto modified holly sawdust as an cheaper absorbent. Materials & Methods: This study was a fundamental- application study done in Hamadan University of Medical Sciences, hygiene faculty water and wastewater chemistry laboratory. This study investigated the removal of hexavalent chromium by using modified holly sawdust with pH changes ,contact time ,absorbent dose and Cr(VI concentrations in batch system. Then the result was analyzed by Excel software.Results: The results showed that the removal efficiency decrease is accompanied by the increase of pH and initial chromium concentration. pH increase from 2 to 12(equilibrium time= 180 min, adsorbent dose= 0.6g/100CC, Cr(VI concentrations= 60 mg/L,leaded to the removal efficiency decrease from 99.67 % to 29.78 %. Also removal efficiency decreased from 99.37 % to 40.24 % after increasing the initial chromium concentrations from 20 mg/L to 100 mg/L. Moreover the results showed the removal efficiency increased after increasing the adsorbent dose and contact time. By increasing adsorbent dose from 0.2 g/100CC to 1 g/100CC, the removal efficiency increased from 34.65 % to 99.76 %.Additionally, the removal efficiency increased from 48.53%to 99.76% by increasing contact time from 5 mins to 180 mins. Experimental isotherms and kinetics models were assessed by Langmuir and Freundlich isotherms and pseudo-first-order and pseudo-second-order kinetics models. The results showed that the data were acceptably explained acceptably by Langmuir isotherms and pseudo-second-order kinetics models respectively.Conclusion: The results showed that the removal of hexavalent chromium

  2. Chloride Anions Regulate Kinetics but Not Voltage-Sensor Qmax of the Solute Carrier SLC26a5.

    Science.gov (United States)

    Santos-Sacchi, Joseph; Song, Lei

    2016-06-07

    In general, SLC26 solute carriers serve to transport a variety of anions across biological membranes. However, prestin (SLC26a5) has evolved, now serving as a motor protein in outer hair cells (OHCs) of the mammalian inner ear and is required for cochlear amplification, a mechanical feedback mechanism to boost auditory performance. The mechanical activity of the OHC imparted by prestin is driven by voltage and controlled by anions, chiefly intracellular chloride. Current opinion is that chloride anions control the Boltzmann characteristics of the voltage sensor responsible for prestin activity, including Qmax, the total sensor charge moved within the membrane, and Vh, a measure of prestin's operating voltage range. Here, we show that standard narrow-band, high-frequency admittance measures of nonlinear capacitance (NLC), an alternate representation of the sensor's charge-voltage (Q-V) relationship, is inadequate for assessment of Qmax, an estimate of the sum of unitary charges contributed by all voltage sensors within the membrane. Prestin's slow transition rates and chloride-binding kinetics adversely influence these estimates, contributing to the prevalent concept that intracellular chloride level controls the quantity of sensor charge moved. By monitoring charge movement across frequency, using measures of multifrequency admittance, expanded displacement current integration, and OHC electromotility, we find that chloride influences prestin kinetics, thereby controlling charge magnitude at any particular frequency of interrogation. Importantly, however, this chloride dependence vanishes as frequency decreases, with Qmax asymptoting at a level irrespective of the chloride level. These data indicate that prestin activity is significantly low-pass in the frequency domain, with important implications for cochlear amplification. We also note that the occurrence of voltage-dependent charge movements in other SLC26 family members may be hidden by inadequate

  3. Removal of direct blue-106 dye from aqueous solution using new activated carbons developed from pomegranate peel: Adsorption equilibrium and kinetics

    International Nuclear Information System (INIS)

    Amin, Nevine Kamal

    2009-01-01

    The use of cheap, high efficiency and ecofriendly adsorbent has been studied as an alternative source of activated carbon for the removal of dyes from wastewater. This study investigates the use of activated carbons prepared from pomegranate peel for the removal of direct blue dye from aqueous solution. A series of experiments were conducted in a batch system to assess the effect of the system variables, i.e. initial pH, temperature, initial dye concentration adsorbent dosage and contact time. The results showed that the adsorption of direct blue dye was maximal at pH 2, as the amount of adsorbent increased, the percentage of dye removal increased accordingly but it decreased with the increase in initial dye concentration and solution temperature. The adsorption kinetics was found to follow pseudo-second-order rate kinetic model, with a good correlation (R 2 > 0.99) and intra-particle diffusion as one of the rate determining steps. Langmuir, Freundlich, Temkin, Dubinin-RadushKevich (D-R) and Harkins-Jura isotherms were used to analyze the equilibrium data at different temperatures. In addition, various thermodynamic parameters, such as standard Gibbs free energy (ΔG o ), standard enthalpy (ΔH o ), standard entropy (ΔS o ), and the activation energy (E a ) have been calculated. The adsorption process of direct blue dye onto different activated carbons prepared from pomegranate peel was found to be spontaneous and exothermic process. The findings of this investigation suggest that the physical sorption plays a role in controlling the sorption rate.

  4. Removal of direct blue-106 dye from aqueous solution using new activated carbons developed from pomegranate peel: Adsorption equilibrium and kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Amin, Nevine Kamal, E-mail: nkamalamin@yahoo.com [Chemical Engineering Department, Faculty of Engineering, Alexandria University, Alexandria (Egypt)

    2009-06-15

    The use of cheap, high efficiency and ecofriendly adsorbent has been studied as an alternative source of activated carbon for the removal of dyes from wastewater. This study investigates the use of activated carbons prepared from pomegranate peel for the removal of direct blue dye from aqueous solution. A series of experiments were conducted in a batch system to assess the effect of the system variables, i.e. initial pH, temperature, initial dye concentration adsorbent dosage and contact time. The results showed that the adsorption of direct blue dye was maximal at pH 2, as the amount of adsorbent increased, the percentage of dye removal increased accordingly but it decreased with the increase in initial dye concentration and solution temperature. The adsorption kinetics was found to follow pseudo-second-order rate kinetic model, with a good correlation (R{sup 2} > 0.99) and intra-particle diffusion as one of the rate determining steps. Langmuir, Freundlich, Temkin, Dubinin-RadushKevich (D-R) and Harkins-Jura isotherms were used to analyze the equilibrium data at different temperatures. In addition, various thermodynamic parameters, such as standard Gibbs free energy ({Delta}G{sup o}), standard enthalpy ({Delta}H{sup o}), standard entropy ({Delta}S{sup o}), and the activation energy (E{sub a}) have been calculated. The adsorption process of direct blue dye onto different activated carbons prepared from pomegranate peel was found to be spontaneous and exothermic process. The findings of this investigation suggest that the physical sorption plays a role in controlling the sorption rate.

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

    Science.gov (United States)

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

    2013-10-15

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

  6. Relational Databases and Biomedical Big Data.

    Science.gov (United States)

    de Silva, N H Nisansa D

    2017-01-01

    In various biomedical applications that collect, handle, and manipulate data, the amounts of data tend to build up and venture into the range identified as bigdata. In such occurrences, a design decision has to be taken as to what type of database would be used to handle this data. More often than not, the default and classical solution to this in the biomedical domain according to past research is relational databases. While this used to be the norm for a long while, it is evident that there is a trend to move away from relational databases in favor of other types and paradigms of databases. However, it still has paramount importance to understand the interrelation that exists between biomedical big data and relational databases. This chapter will review the pros and cons of using relational databases to store biomedical big data that previous researches have discussed and used.

  7. Pertukaran Data Antar Database Dengan Menggunakan Teknologi API

    Directory of Open Access Journals (Sweden)

    Ahmad Hanafi

    2017-03-01

    Full Text Available Electronically data interchange between institutions or companies must be supported with appropriate data storage media capacity. MySQL is a database engine that is used to perform data storage in the form of information, where the data can be utilized as needed. MYSQL has the advantage of which is to provide convenience in terms of usage, and able to work on different platforms. System requirements that must be reliable and multitasking capable of making the database not only as a data storage medium, but can also be utilized as a means of data exchange. Dropbox API is the best solution that can be utilized as a technology that supports the database to be able to Exchange data. The combination of the Dropbox API and database can be used as a very cheap solution for small companies to implement data exchange, because it only requires a relatively small Internet connection.

  8. Treatment of polymer surfaces in plasma Part I. Kinetic model

    International Nuclear Information System (INIS)

    Tabaliov, N A; Svirachev, D M

    2006-01-01

    The surface tension of the polymer materials depends on functional groups over its surface. As a result from the plasma treatment the kind and concentration of the functional groups can be changed. In the present work, the possible kinetic reactions are defined. They describe the interaction between the plasma and the polymer surface of polyethylene terephthalate (PET). Basing on these reactions, the systems of differential kinetic equations are suggested. The solutions are obtained analytically for the system kinetic equations at defined circumstances

  9. 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

  10. Murmanite and lomonosovite as Ag-selective ionites: kinetics and products of ion exchange in aqueous AgNO3 solutions

    Science.gov (United States)

    Lykova, Inna S.; Chukanov, Nikita V.; Kazakov, Anatoliy I.; Tarasov, Viktor P.; Pekov, Igor V.; Yapaskurt, Vasiliy O.; Chervonnaya, Nadezhda A.

    2013-09-01

    Products and kinetics of ion exchange of heterophyllosilicate minerals lomonosovite and murmanite with aqueous AgNO3 solutions under low-temperature conditions have been studied using scanning electron microscopy, electron microprobe analysis, single-crystal X-ray diffraction, infrared spectroscopy, 23Na nuclear magnetic resonance spectroscopy and dynamic calorimetry. Both minerals show strong affinity for silver in cation exchange. Simplified formulae of Ag-exchanged forms of murmanite and lomonosovite are (Ag3.0Ca0.5Na0.5) (Ti,Nb,Mn,Fe)3.7-4 (Si2O7)2O4·4(H2O,OH) and (Ag8.2Na1.2Ca0.3) (Ti,Nb,Mn,Fe)3.9-4 (Si2O7)2 (PO4)1.9O4· xH2O, respectively. The reaction of ion exchange for murmanite follows the first-order kinetic model up to ca. 70-80 % conversion. The rate of the process is described by the equation k(h-1) = 107.64±0.60 exp[-(12.2 ± 0.9)·103/RT]. The average heat release value in the temperature range 39.4-72 °C is 230 J g-1. The cation exchange is limited by processes in solid state, most probably binding of silver.

  11. Kinetic Studies For the Removal of UO22+ and Pb2+ Ions From Aqueous Solution Using Zirconia Composite Material

    International Nuclear Information System (INIS)

    Sharaf El-Deen, G.E.

    2008-01-01

    Zirconia composite material was chemically synthesized previously and prepared by applying the sol-gel polymeric route using MgO as a stabilizer. The prepared composite material was characterized using various techniques: x-ray fluorescence (XRF), scanning electron microscope (SEM), differential thermal analysis and thermogravimetric analysis (DTA-TG), x-ray diffraction (XRD) and surface area using the BET-method. The sorption removal of UO 2 2+ and Pb 2+ ions from aqueous waste solution by zirconia composite material using batch technique was investigated. The sorption was carried out as a function of ph, particle size, shaking time and temperature. In this work, a comparison of kinetic models applied to the sorption process of each ion was evaluated for the pseudo first-order, the pseudo second-order, intra particle diffusion and homogeneous particle diffusion kinetic models, respectively. The results showed that the homogeneous particle diffusion model (HPDM) best correlate the experimental rate data and the numerical values of the rate constants and particle diffusion coefficients were determined from the graphical representation of the proposed models. Activation energy (Ε a ) and thermodynamic parameters of free energy (δ G * ), enthalpy (δ H * ) and entropy (δ S * ) of activation were also computed from the linearized form of Arrhenius equation

  12. Method of molybdenum kinetic determination

    International Nuclear Information System (INIS)

    Krejngol'd, S.U.; Dzotsenidze, N.E.; Ruseishviyai, T.G.; Nelen', I.M.

    1980-01-01

    The method molybdenum kinetic determination according to oxidation of pyrogallol with bromate in the medium of 0.05-0.15 M perchloric or sulphuric acids is presented. 1 mg of Ni, Co, Mn, Mg, Zn, Cr(3); 100 μg of Ca, Al, Cu, 10 μg of Cr(4), W; 10 μg of Fe in the presence of 22x10 - 4 M solution of EDTA, as well as 10 - 4 M solutions of chlorides and fluorides, 10 - 5 M solutions of bromides do not interfere with molybdenum determination using the given method. The method is rather simple, it takes 30 min to carry out the analysis. Determination limit of molybdenum constitutes 0.01 μg/ml

  13. Periodic protein adsorption at the gold/biotin aqueous solution interface: evidence of kinetics with time delay

    Science.gov (United States)

    Neff, H.; Laborde, H. M.; Lima, A. M. N.

    2016-11-01

    An oscillatory molecular adsorption pattern of the protein neutravidin from aqueous solution onto gold, in presence of a pre-deposited self assembled mono-molecular biotin film, is reported. Real time surface Plasmon resonance sensing was utilized for evaluation of the adsorption kinetics. Two different fractions were identified: in the initial phase, protein molecules attach irreversibly onto the Biotin ligands beneath towards the jamming limit, forming a neutravidin-biotin fraction. Afterwards, the growth rate exhibits distinct, albeit damped adsorption-desorption oscillations over an extended time span, assigned to a quasi reversibly bound fraction. These findings agree with, and firstly confirm a previously published model, proposing macro-molecular adsorption with time delay. The non-linear dynamic model is applicable to and also resembles non-damped oscillatory binding features of the hetero-catalytic oxidation of carbon monoxide molecules on platinum in the gas phase. An associated surface residence time can be linked to the dynamics and time scale required for self-organization.

  14. Quantifying Silica Reactivity in Subsurface Environments: Reaction Affinity and Solute Matrix Controls on Quartz and SiO2 Glass Dissolution Kinetics

    International Nuclear Information System (INIS)

    Dove, Patricia M.

    1999-01-01

    Our goal is to develop a quantitative and mechanistic understanding of amorphous silica, SiO2(am), dissolution kinetics in aqueous solutions. A knowledge of fundamental controls on the reactivity of simple Si-O bonded phases is the baseline of behavior for understanding highly complex silica phases. In the Earth, silicate minerals comprise >70% of the crust and dominate virtually every subsurface system. More importantly for the objectives of this EMSP project, the silicates are important because compositionally complex glasses will become the front line of defense in containing radioactive wastes in the nation's long term and interim storage strategies. To date, the behavior of SiO2(am) is largely inferred from studies of the better known crystalline polymorphs (e.g. alpha-quartz). In the first step towards constructing a general model for amorphous silica reactivity in the complex fluid compositions of natural waters, we are determining the dissolution behavior as a function of temperature, solution pH and cation concentration. With these data we are determining relationships between SiO2 glass structure and dissolution rates in aqueous solutions, as described below

  15. Survey of Machine Learning Methods for Database Security

    Science.gov (United States)

    Kamra, Ashish; Ber, Elisa

    Application of machine learning techniques to database security is an emerging area of research. In this chapter, we present a survey of various approaches that use machine learning/data mining techniques to enhance the traditional security mechanisms of databases. There are two key database security areas in which these techniques have found applications, namely, detection of SQL Injection attacks and anomaly detection for defending against insider threats. Apart from the research prototypes and tools, various third-party commercial products are also available that provide database activity monitoring solutions by profiling database users and applications. We present a survey of such products. We end the chapter with a primer on mechanisms for responding to database anomalies.

  16. A Collisional Database and Web Service within the Virtual Atomic ...

    Indian Academy of Sciences (India)

    MOL-D database is a collection of cross-sections and rate coefficients for specific collisional processes and a web service within the Serbian Virtual Observatory ... Hydrogen and helium molecular ion data are important for calculation of solar and stellar atmosphere models and for radiative transport, as well as for kinetics of ...

  17. Heterogeneous distributed databases: A case study

    Science.gov (United States)

    Stewart, Tracy R.; Mukkamala, Ravi

    1991-01-01

    Alternatives are reviewed for accessing distributed heterogeneous databases and a recommended solution is proposed. The current study is limited to the Automated Information Systems Center at the Naval Sea Combat Systems Engineering Station at Norfolk, VA. This center maintains two databases located on Digital Equipment Corporation's VAX computers running under the VMS operating system. The first data base, ICMS, resides on a VAX11/780 and has been implemented using VAX DBMS, a CODASYL based system. The second database, CSA, resides on a VAX 6460 and has been implemented using the ORACLE relational database management system (RDBMS). Both databases are used for configuration management within the U.S. Navy. Different customer bases are supported by each database. ICMS tracks U.S. Navy ships and major systems (anti-sub, sonar, etc.). Even though the major systems on ships and submarines have totally different functions, some of the equipment within the major systems are common to both ships and submarines.

  18. ESPSD, Nuclear Power Plant Siting Database

    International Nuclear Information System (INIS)

    Slezak, S.

    2001-01-01

    1 - Description of program or function: This database is a repository of comprehensive licensing and technical reviews of siting regulatory processes and acceptance criteria for advanced light water reactor (ALWR) nuclear power plants. The program is designed to be used by applicants for an early site permit or combined construction permit/operating license (10CFRR522), Sub-parts A and C) as input for the development of the application. The database is a complete, menu-driven, self-contained package that can search and sort the supplied data by topic, keyword, or other input. The software is designed for operation on IBM compatible computers with DOS. 2 - Method of solution: The database is an R:BASE Runtime program with all the necessary database files included

  19. 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)

  20. Variable elimination in chemical reaction networks with mass-action kinetics

    DEFF Research Database (Denmark)

    Feliu, Elisenda; Wiuf, C.

    2012-01-01

    We consider chemical reaction networks taken with mass-action kinetics. The steady states of such a system are solutions to a system of polynomial equations. Even for small systems the task of finding the solutions is daunting. We develop an algebraic framework and procedure for linear elimination...

  1. Kinetics of cadmium hydroxide precipitation

    International Nuclear Information System (INIS)

    Patterson, J.W.; Marani, D.; Luo, B.; Swenson, P.

    1987-01-01

    This paper presents some preliminary results on the kinetics of Cd(OH)/sub 2/ precipitation, both in the absence and the presence of citric acid as an inhibiting agent. Batch and continuous stirred tank reactor (CSTR) precipitation studies are performed by mixing equal volumes of NaOH and Cd(NO/sub 3/)/sub 2/ solutions, in order to avoid localized supersaturation conditions. The rate of metal removal from the soluble phase is calculated from the mass balance for the CSTR precipitation tests. In addition, precipitation kinetics are studied in terms of nucleation and crystal growth rates, by means of a particle counter that allows a population balance analysis for the precipitation reactor at steady state conditions

  2. Bioinspired co-crystals of Imatinib providing enhanced kinetic solubility.

    Science.gov (United States)

    Reggane, Maude; Wiest, Johannes; Saedtler, Marco; Harlacher, Cornelius; Gutmann, Marcus; Zottnick, Sven H; Piechon, Philippe; Dix, Ina; Müller-Buschbaum, Klaus; Holzgrabe, Ulrike; Meinel, Lorenz; Galli, Bruno

    2018-05-04

    Realizing the full potential of co-crystals enhanced kinetic solubility demands a comprehensive understanding of the mechanisms of dissolution, phase conversion, nucleation and crystal growth, and of the complex interplay between the active pharmaceutical ingredient (API), the coformer and co-existing forms in aqueous media. One blueprint provided by nature to keep poorly water-soluble bases in solution is the complexation with phenolic acids. Consequently, we followed a bioinspired strategy for the engineering of co-crystals of a poorly water-soluble molecule - Imatinib - with a phenolic acid, syringic acid (SYA). The dynamics of dissolution and solution-mediated phase transformations were monitored by Nuclear Magnetic Resonance (NMR) spectroscopy, providing mechanistic insights into the 60 fold-increased long lasting concentrations achieved by the syringate co-crystals as compared to Imatinib base and Imatinib mesylate. This lasting effect was linked to SYA's ability to delay the formation and nucleation of Imatinib hydrate - the thermodynamically stable form in aqueous media - through a metastable association of SYA with Imatinib in solution. Results from permeability studies evidenced that SYA did not impact Imatinib's permeability across membranes while suggesting improved bioavailability through higher kinetic solubility at the biological barriers. These results reflect that some degree of hydrophobicity of the coformer might be key to extend the kinetic solubility of co-crystals with hydrophobic APIs. Understanding how kinetic supersaturation can be shaped by the selection of an interactive coformer may help achieving the needed performance of new forms of poorly water-soluble, slowly dissolving APIs. Copyright © 2018. Published by Elsevier B.V.

  3. Kinetic Investigations on Pd(II) Catalyzed Oxidation of Some Amino ...

    African Journals Online (AJOL)

    Kinetic investigations on Pd(II) catalyzed oxidation of dl-serine and dl-threonine by acidic solution of potassium bromate in the presence of mercuric acetate, as a scavenger have been made in the temperature range of 30–45°C. The rate shows zero order kinetics in bromate [BrO3‾] and order of reaction is one with respect ...

  4. 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.

  5. Removal of three nitrophenols from aqueous solutions by adsorption onto char ash: equilibrium and kinetic modeling

    Science.gov (United States)

    Magdy, Yehia M.; Altaher, Hossam; ElQada, E.

    2018-03-01

    In this research, the removal of 2,4 dinitrophenol, 2 nitrophenol and 4 nitrophenol from aqueous solution using char ash from animal bones was investigated using batch technique. Three 2-parameter isotherms (Freundlich, Langmuir, and Temkin) were applied to analyze the experimental data. Both linear and nonlinear regression analyses were performed for these models to estimate the isotherm parameters. Three 3-parameter isotherms (Redlich-Peterson, Sips, Toth) were also tested. Moreover, the kinetic data were tested using pseudo-first order, pseudo-second order, Elovich, Intraparticle diffusion and Boyd methods. Langmuir adsorption isotherm provided the best fit for the experimental data indicating monolayer adsorption. The maximum adsorption capacity was 8.624, 7.55, 7.384 mg/g for 2 nitrophenol, 2,4 dinitrophenol, and 4 nitrophenol, respectively. The experimental data fitted well to pseudo-second order model suggested a chemical nature of the adsorption process. The R 2 values for this model were 0.973 up to 0.999. This result with supported by the Temkin model indicating heat of adsorption to be greater than 10 kJ/mol. The rate controlling step was intraparticle diffusion for 2 nitrophenol, and a combination of intraparticle diffusion and film diffusion for the other two phenols. The pH and temperature of solution were found to have a considerable effect, and the temperature indicated the exothermic nature of the adsorption process. The highest adsorption capacity was obtained at pH 9 and 25 °C.

  6. New solutions for data management on the horizon

    CERN Multimedia

    Adrian Giordani

    2012-01-01

    Almost all large-scale scientific experiments, including those at CERN, manage their data using relational databases, accessible with a programming language called SQL (Structured Query Language). But, as the amount of data continues to grow, there are also growing doubts that relational databases are the best solution.   New types of databases, called NoSQL, are promising a different way to access large amounts of data. The languages used in NoSQL are far less complicated, making the initial set-up much easier. In addition, data can be stored in a more flexible way, promising a faster way to access and manage data. The CERN Database Group in the IT Department is participating in small-scale tests of NoSQL solutions with three of the four large detectors (CMS, ATLAS and LHCb). Over the past few months, non-relational database vendors – including Google, Hadapt, and Oracle – have also been presenting their NoSQL solutions to the IT Department. “We have used the Orac...

  7. A path-independent integral for the characterization of solute concentration and flux at biofilm detachments

    Science.gov (United States)

    Moran, B.; Kulkarni, S.S.; Reeves, H.W.

    2007-01-01

    A path-independent (conservation) integral is developed for the characterization of solute concentration and flux in a biofilm in the vicinity of a detachment or other flux limiting boundary condition. Steady state conditions of solute diffusion are considered and biofilm kinetics are described by an uptake term which can be expressed in terms of a potential (Michaelis-Menten kinetics). An asymptotic solution for solute concentration at the tip of the detachment is obtained and shown to be analogous to that of antiplane crack problems in linear elasticity. It is shown that the amplitude of the asymptotic solution can be calculated by evaluating a path-independent integral. The special case of a semi-infinite detachment in an infinite strip is considered and the amplitude of the asymptotic field is related to the boundary conditions and problem parameters in closed form for zeroth and first order kinetics and numerically for Michaelis-Menten kinetics. ?? Springer Science+Business Media, Inc. 2007.

  8. Acid-catalyzed kinetics of indium tin oxide etching

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae-Hyeok; Kim, Seong-Oh; Hilton, Diana L. [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Centre for Biomimetic Sensor Science, Nanyang Technological University, 50 Nanyang Drive, 637553 (Singapore); Cho, Nam-Joon, E-mail: njcho@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Centre for Biomimetic Sensor Science, Nanyang Technological University, 50 Nanyang Drive, 637553 (Singapore); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2014-08-28

    We report the kinetic characterization of indium tin oxide (ITO) film etching by chemical treatment in acidic and basic electrolytes. It was observed that film etching increased under more acidic conditions, whereas basic conditions led to minimal etching on the time scale of the experiments. Quartz crystal microbalance was employed in order to track the reaction kinetics as a function of the concentration of hydrochloric acid and accordingly solution pH. Contact angle measurements and atomic force microscopy experiments determined that acid treatment increases surface hydrophilicity and porosity. X-ray photoelectron spectroscopy experiments identified that film etching is primarily caused by dissolution of indium species. A kinetic model was developed to explain the acid-catalyzed dissolution of ITO surfaces, and showed a logarithmic relationship between the rate of dissolution and the concentration of undisassociated hydrochloric acid molecules. Taken together, the findings presented in this work verify the acid-catalyzed kinetics of ITO film dissolution by chemical treatment, and support that the corresponding chemical reactions should be accounted for in ITO film processing applications. - Highlights: • Acidic conditions promoted indium tin oxide (ITO) film etching via dissolution. • Logarithm of the dissolution rate depended linearly on the solution pH. • Acid treatment increased ITO surface hydrophilicity and porosity. • ITO film etching led to preferential dissolution of indium species over tin species.

  9. Gyrocenter-gauge kinetic theory

    International Nuclear Information System (INIS)

    Qin, H.; Tang, W.M.; Lee, W.W.

    2000-01-01

    largely due to the fact that it directly decouples particle's gyromotion from its gyrocenter motion in the gyrocenter coordinates. As in the case of kinetic theories using guiding center coordinates, obtaining solutions for this kinetic system involves only following particles along their gyrocenter orbits. However, an added advantage here is that unlike the guiding center formalism, the gyrocenter coordinates used in this theory involves both the equilibrium and the perturbed components of the electromagnetic field. In terms of solving the kinetic system using particle simulation methods, the gyrocenter-gauge kinetic approach enables the reduction of computational complexity without the loss of important physical content

  10. Mass and heat transfer between evaporation and condensation surfaces: Atomistic simulation and solution of Boltzmann kinetic equation.

    Science.gov (United States)

    Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I

    2018-04-16

    Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.

  11. An improved hybrid of particle swarm optimization and the gravitational search algorithm to produce a kinetic parameter estimation of aspartate biochemical pathways.

    Science.gov (United States)

    Ismail, Ahmad Muhaimin; Mohamad, Mohd Saberi; Abdul Majid, Hairudin; Abas, Khairul Hamimah; Deris, Safaai; Zaki, Nazar; Mohd Hashim, Siti Zaiton; Ibrahim, Zuwairie; Remli, Muhammad Akmal

    2017-12-01

    Mathematical modelling is fundamental to understand the dynamic behavior and regulation of the biochemical metabolisms and pathways that are found in biological systems. Pathways are used to describe complex processes that involve many parameters. It is important to have an accurate and complete set of parameters that describe the characteristics of a given model. However, measuring these parameters is typically difficult and even impossible in some cases. Furthermore, the experimental data are often incomplete and also suffer from experimental noise. These shortcomings make it challenging to identify the best-fit parameters that can represent the actual biological processes involved in biological systems. Computational approaches are required to estimate these parameters. The estimation is converted into multimodal optimization problems that require a global optimization algorithm that can avoid local solutions. These local solutions can lead to a bad fit when calibrating with a model. Although the model itself can potentially match a set of experimental data, a high-performance estimation algorithm is required to improve the quality of the solutions. This paper describes an improved hybrid of particle swarm optimization and the gravitational search algorithm (IPSOGSA) to improve the efficiency of a global optimum (the best set of kinetic parameter values) search. The findings suggest that the proposed algorithm is capable of narrowing down the search space by exploiting the feasible solution areas. Hence, the proposed algorithm is able to achieve a near-optimal set of parameters at a fast convergence speed. The proposed algorithm was tested and evaluated based on two aspartate pathways that were obtained from the BioModels Database. The results show that the proposed algorithm outperformed other standard optimization algorithms in terms of accuracy and near-optimal kinetic parameter estimation. Nevertheless, the proposed algorithm is only expected to work well in

  12. Kinetic approach to the initial value problem in quantum field theory

    International Nuclear Information System (INIS)

    Lin Chi Yong; Toledo Piza, A.F.R. de.

    1989-06-01

    Time-dependente projection techniques developed to derive kinetic equations in the context of the quantum many-body problem are applied to φ 4 field theory. The approach is illustrated by working out the 0+1 dimensional case explicitly, including numerical solutions of the kinetic equations. Extension to higher dimensions is briefly discussed. (author) [pt

  13. Kinetic and isotherm analyses for thorium (IV) adsorptive removal from aqueous solutions by modified magnetite nanoparticle using response surface methodology (RSM)

    Energy Technology Data Exchange (ETDEWEB)

    Karimi, Mohammad, E-mail: m.karimi407@alumni.ut.ac.ir [School of Chemical Engineering, College of Engineering, University of Tehran, P.O. Box: 11365-4563, Tehran (Iran, Islamic Republic of); Milani, Saeid Alamdar [Nuclear Fuel Cycle Research School, Nuclear Science and Technology Research Institute, AEOI, P.O. Box: 14893-836, Tehran (Iran, Islamic Republic of); Abolgashemi, Hossein [School of Chemical Engineering, College of Engineering, University of Tehran, P.O. Box: 11365-4563, Tehran (Iran, Islamic Republic of)

    2016-10-15

    In this study, the ability and the adsorption capacity of magnetite/aminopropyltriethoxysilane/glutaraldehyde (Fe{sub 3}O{sub 4}/APTES/GA) adsorbent were evaluated for the adsorption of thorium (IV) ions from aqueous solutions. The influence of the several variables such as pH (1–5), Th (IV) initial concentration (50–300 mg L{sup −1}) and adsorbent concentration (1–5 g L{sup −1}) on the Th (IV) adsorption were investigated by response surface methodology (RSM). The results showed that the highest absorption capacity (q) was 107.23 mg g{sup −1} with respect to pH = 4.5, initial concentration of 250 mg L{sup −1} and adsorbent concentration of 1 g L{sup −1} for 90 min. Modeling equilibrium sorption data with the Langmuir, Freundlich and Dubinin–Radushkevich models pointed out that the results were in good agreement with Langmuir model. The experimental kinetic data were well fitted to pseudo-second-order equation with R{sup 2} = 0.9739. Also thermodynamic parameters (ΔG{sup o}, ΔH{sup o}, ΔS{sup o}) declared that the Th (IV) adsorption was endothermic and spontaneous. - Highlights: • Thorium ions were removed from aqueous solutions by modified magnetite nanoparticle. • The effects of process variables on adsorption capacity were investigated by RSM. • Thermodynamic parameters showed that the adsorption was endothermic and spontaneous. • The equilibrium data for the adsorption of Thorium followed the Langmuir isotherm. • The experimental kinetic data were described by the pseudo-second-order equation.

  14. Effect of local environment on crossluminescence kinetics in SrF{sub 2}:Ba and CaF{sub 2}:Ba solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Terekhin, M.A. [P.N. Lebedev Physical Institute, Leninskij Prospekt 53, 119991 Moscow (Russian Federation); Makhov, V.N., E-mail: makhov@sci.lebedev.ru [P.N. Lebedev Physical Institute, Leninskij Prospekt 53, 119991 Moscow (Russian Federation); Lebedev, A.I.; Sluchinskaya, I.A. [Lomonosov Moscow State University, Moscow 119991 (Russian Federation)

    2015-10-15

    Spectral and kinetic properties of extrinsic crossluminescence (CL) in SrF{sub 2}:Ba (1%) and CaF{sub 2}:Ba (1%) are compared with those of intrinsic CL in BaF{sub 2} and are analyzed taking into account EXAFS data obtained at the Ba L{sub III} edge and results of first-principles calculations. The CL decay time was revealed to be longer in SrF{sub 2}:Ba and CaF{sub 2}:Ba compared to BaF{sub 2}. This fact contradicts the expected acceleration of luminescence decay which could result from an increased overlap of wave functions in solid solutions due to shortening of the Ba-F distance obtained in both EXAFS measurements and first-principles calculations. This discrepancy is explained by the effect of migration and subsequent non-radiative decay of the Ba (5p) core holes in BaF{sub 2} and by decreasing of the probability of optical transitions between Ba (5p) states and the valence band in SrF{sub 2}:Ba and CaF{sub 2}:Ba predicted by first-principles calculations. - Highlights: • The crossluminescence kinetics in SrF{sub 2}:Ba and CaF{sub 2}:Ba is slower than in BaF{sub 2}. • Ba{sup 2+} ions substitute for host Ca{sup 2+}(Sr{sup 2+}) ions in the on-center positions. • The nearest Ba-F distances in SrF{sub 2}:Ba and CaF{sub 2}:Ba are shorter than in BaF{sub 2}. • EXAFS data and first-principles calculations of the local structure agree well. • First-principles calculations explain slower luminescence decay in solid solutions.

  15. Influence of oxalic acid on the dissolution kinetics of manganese oxide

    Science.gov (United States)

    Godunov, E. B.; Artamonova, I. V.; Gorichev, I. G.; Lainer, Yu. A.

    2012-11-01

    The kinetics and electrochemical processes of the dissolution of manganese oxides with various oxidation states in sulfuric acid solutions containing oxalate ion additives is studied under variable conditions (concentration, pH, temperature). The parameters favoring a higher degree of the dissolution of manganese oxides in acidic media are determined. The optimal conditions are found for the dissolution of manganese oxides in acidic media in the presence of oxalate ions. The mechanism proposed for the dissolution of manganese oxides in sulfuric acid solutions containing oxalic acid is based on the results of kinetic and electrochemical studies. The steps of the dissolution mechanism are discussed.

  16. Feasibility of creating a specialized reactimeter based on the inverse solution to kinetics equation with a current-mode neutron detector

    Energy Technology Data Exchange (ETDEWEB)

    Koshelev, A. S., E-mail: alexsander.coshelev@yandex.ru; Arapov, A. V.; Ovchinnikov, M. A. [Russian Federal Nuclear Center–All-Russian Research Institute of Experimental Physics (Russian Federation)

    2016-12-15

    The file-evaluation results of a reactimeter based on the inverse solution to the kinetics equation (ISKE) are presented, which were obtained using an operating hardware-measuring complex with a KNK-4 neutron detector working in the current mode. The processing of power-recording files of the BR-1M, BR-K1, and VIR-2M reactors of the Russian Federal Nuclear Center—All-Russian Research Institute of Experimental Physics, which was performed with the use of Excel simulation of the ISKE formalism, demonstrated the feasibility of implementation of the reactivity monitoring (during the operation of these reactors at stationary power) beginning from the level of ~5 × 10{sup –4}β{sub eff}.

  17. Effect of electrolyte nature on kinetics of remazol yellow G removal by electrocoagulation

    Science.gov (United States)

    Rajabi, M.; Bagheri-Roochi, M.; Asghari, A.

    2011-10-01

    The present study describes an electrocoagulation process for the removal of remazol yellow G from dye solutions using Iron as the anode and Steel as the cathode. Pseudo-first-order, pseudo-second-order and intraparticle diffusion models were used to analyze the kinetic data obtained at different concentrations in different conditions. The adsorption kinetics was well described by the pseudo-second-order kinetic model.

  18. Root uptake of uranium by a higher plant model (Phaseolus vulgaris) bioavailability from soil solution

    International Nuclear Information System (INIS)

    Laroche, L.; Henner, P.; Camilleri, V.; Garnier-Laplace, J.

    2004-01-01

    Uranium behaviour in soils is controlled by actions and interactions between physicochemical and biological processes that also determine its bioavailability. In soil solution, uranium(+VI) aqueous speciation undergoes tremendous changes mainly depending on pH, carbonates, phosphates and organic matter. In a first approach to identify bioavailable species of U to plants, cultures were performed using hydroponics, to allow an easy control of the composition of the exposure media. The latter, here an artificial soil solution, was designed to control the uranium species in solution. The geochemical speciation code JCHESS using a database compiled from the OECD/NEA thermochemical database project and verified was used to perform the solution speciation calculations. On this theoretical basis, three domains were defined for short-duration well-defined laboratory experiments in simplified conditions: pH 4.9, 5.8 and 7 where predicted dominant species are uranyl ions, hydroxyl complexes and carbonates respectively. For these domains, biokinetics and characterization of transmembrane transport according to a classical Michaelis Menten approach were investigated. The Free Ion Model (or its derived Biotic Ligand Model) was tested to determine if U uptake is governed by the free uranyl species or if other metal complexes can be assimilated. The effect of different variables on root assimilation efficiency and phyto-toxicity was explored: presence of ligands such as phosphates or carbonates and competitive ions such as Ca 2+ at the 3 pH. According to previous experiments, uranium was principally located in roots whatever the pH and no difference in uranium uptake was evidenced between the main growth stages of the plant. Within the 3 studied chemical domains, results from short-term kinetics evidenced a linear correlation between total uranium concentration in bean roots and that in exposure media, suggesting that total uranium in soil solution could be a good predictor for

  19. Root uptake of uranium by a higher plant model (Phaseolus vulgaris) bioavailability from soil solution

    Energy Technology Data Exchange (ETDEWEB)

    Laroche, L.; Henner, P.; Camilleri, V.; Garnier-Laplace, J. [CEA Cadarache (DEI/SECRE/LRE), Laboratory of Radioecology and Ecotoxicology, Institute for Radioprotection and Nuclear Safety, 13 - Saint-Paul-lez-Durance (France)

    2004-07-01

    Uranium behaviour in soils is controlled by actions and interactions between physicochemical and biological processes that also determine its bioavailability. In soil solution, uranium(+VI) aqueous speciation undergoes tremendous changes mainly depending on pH, carbonates, phosphates and organic matter. In a first approach to identify bioavailable species of U to plants, cultures were performed using hydroponics, to allow an easy control of the composition of the exposure media. The latter, here an artificial soil solution, was designed to control the uranium species in solution. The geochemical speciation code JCHESS using a database compiled from the OECD/NEA thermochemical database project and verified was used to perform the solution speciation calculations. On this theoretical basis, three domains were defined for short-duration well-defined laboratory experiments in simplified conditions: pH 4.9, 5.8 and 7 where predicted dominant species are uranyl ions, hydroxyl complexes and carbonates respectively. For these domains, biokinetics and characterization of transmembrane transport according to a classical Michaelis Menten approach were investigated. The Free Ion Model (or its derived Biotic Ligand Model) was tested to determine if U uptake is governed by the free uranyl species or if other metal complexes can be assimilated. The effect of different variables on root assimilation efficiency and phyto-toxicity was explored: presence of ligands such as phosphates or carbonates and competitive ions such as Ca{sup 2+} at the 3 pH. According to previous experiments, uranium was principally located in roots whatever the pH and no difference in uranium uptake was evidenced between the main growth stages of the plant. Within the 3 studied chemical domains, results from short-term kinetics evidenced a linear correlation between total uranium concentration in bean roots and that in exposure media, suggesting that total uranium in soil solution could be a good predictor

  20. Corrosion kinetics and topography analysis of Ti–6Al–4V alloy subjected to different mouthwash solutions

    Energy Technology Data Exchange (ETDEWEB)

    Faverani, Leonardo Perez [Department of Surgery and Integrated Clinic, Aracatuba Dental School, Univ Estadual Paulista (UNESP), Jose Bonifacio, 1193, Aracatuba, São Paulo 16015-050 (Brazil); Department of Dental Materials and Prosthodontics, Aracatuba Dental School, Univ Estadual Paulista (UNESP), Jose Bonifacio, 1193, Aracatuba, São Paulo 16015-050 (Brazil); Barao, Valentim Adelino Ricardo, E-mail: barao@fop.unicamp.br [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av. Limeira 901, Piracicaba, São Paulo 13414-903 (Brazil); Pires, Maria Flávia Araújo [Department of Dental Materials and Prosthodontics, Aracatuba Dental School, Univ Estadual Paulista (UNESP), Jose Bonifacio, 1193, Aracatuba, São Paulo 16015-050 (Brazil); Yuan, Judy Chia-Chun; Sukotjo, Cortino [Department of Restorative Dentistry, University of Illinois at Chicago-College of Dentistry, 801 S Paulina, Chicago, IL 60612-7211 (United States); Mathew, Mathew T. [Department of Orthopedic Surgery, Rush University Medical Center, 1611 West Harrison, Chicago, IL 60612-7211 (United States); Assunção, Wirley Gonçalves [Department of Dental Materials and Prosthodontics, Aracatuba Dental School, Univ Estadual Paulista (UNESP), Jose Bonifacio, 1193, Aracatuba, São Paulo 16015-050 (Brazil)

    2014-10-01

    This study evaluated the corrosion kinetics and surface topography of Ti–6Al–4V alloy exposed to mouthwash solutions (0.12% chlorhexidine digluconate, 0.053% cetylpyridinium chloride and 3% hydrogen peroxide) compared to artificial saliva (pH 6.5) (control). Twenty Ti–6Al–4V alloy disks were used and divided into 4 groups (n = 5). For the electrochemical assay, standard tests as open circuit potential and electrochemical impedance spectroscopy (EIS) were applied at baseline, 7 and 14 days after immersion in the solutions. Scanning electron microscopy, atomic force microscopy and profilometry (average roughness — R{sub a}) were used for surface characterization. Total weight loss of disks was calculated. Data were analyzed by ANOVA and Bonferroni's test (α = 0.05). Hydrogen peroxide generated the lowest polarization resistance (R{sub p}) values for all periods (P < 0.05). For the capacitance (C{sub dl}), similar results were observed among groups at baseline (P = 0.098). For the 7 and 14-day periods, hydrogen peroxide promoted the highest C{sub dl} values (P < 0.0001). Hydrogen peroxide promoted expressive superficial changes and greater Ra values than the others (P < 0.0001). It could be concluded that solutions containing cetylpyridinium chloride and chlorhexidine digluconate might be the mouthwashes of choice during the post-operatory period of dental implants. However, hydrogen peroxide is counter-indicated in these situations. Further studies evaluating the dynamics of these solutions (tribocorrosion) and immersing the disks in daily cycles (two or three times a day) to mimic a clinical situation closest to the application of mouthwashes in the oral cavity are warranted to prove our results. - Highlights: • Long-term electrochemical stability of Ti–6Al–4V in mouthwashes was investigated. • 3% percent hydrogen peroxide reduced the corrosion resistance of the Ti–6Al–4V. • Ti is stable in 0.12% chlorhexidine digluconate and 0

  1. Kinetics, Thermodynamics and Isotherm studies on Adsorption of Eriochrome Black-T from aqueous solution using Rutile TiO2

    Science.gov (United States)

    Priyadarshini, B.; Rath, P. P.; Behera, S. S.; Panda, S. R.; Sahoo, T. R.; Parhi, P. K.

    2018-02-01

    In this study, rutile phase of TiO2 particles have been synthesized by co-precipitation method and is used as an adsorbent for removal of toxic azo dye Eriochrome black-T (EBT) from aqueous solution. The rutile phase of TiO2 was confirmed by the X-ray powder diffraction pattern. Effect of initial dye concentration, adsorbent dose, pH, agitation speed and temperature on the adsorption process of EBT was examined. Removal of EBT was increased by increasing in adsorbent dose and decrease in initial dye concentration and pH. The optimum conditions resulted were: 25 ppm initial dye concentration, 20 mg adsorbent dose and pH of 2. Using Langmuir, Freundlich and Temkin isotherm models, equilibrium data was determined. The Freundlich model showed the best fit for uptake of the EBT dye, which evident that the process of adsorption of EBT dye onto TiO2 particles was heterogeneous. The kinetic data were analyzed using pseudo-first order, pseudo-second order and intraparticle diffusion equation. The pseudo-second order showed the best fit for the kinetic studies (R2 = 0.999), which ascertains that the adsorption process was of chemisorptions type. The intraparticle diffusion model indicated a linear relationship (R2= 0.99) suggesting the pore diffusion to be a limiting step in the overall adsorption process.

  2. Repetitive Bibliographical Information in Relational Databases.

    Science.gov (United States)

    Brooks, Terrence A.

    1988-01-01

    Proposes a solution to the problem of loading repetitive bibliographic information in a microcomputer-based relational database management system. The alternative design described is based on a representational redundancy design and normalization theory. (12 references) (Author/CLB)

  3. Synthesis, characterization, kinetic and thermodynamic studies of the dissolution of ThO2 and of solid solutions Th1-xMxO2 (M = U, Pu)

    International Nuclear Information System (INIS)

    Heisbourg, G.

    2003-12-01

    The aim of this work was to understand the mechanisms of dissolution of ThO 2 and of thorium mixed oxides such as Th 1-x U x O 2 and Th 1-x Pu x O 2 in aqueous, oxygenated or inert media. Several solids have been synthesized by precipitation in oxalic medium: Th 1-x U x O 2 (x= 0.11; 0.24; 0.37; 0.53; 0.67; 0.81 and 0.91) and Th 1-x Pu x O 2 (x= 0.13; 0.32 and 0.66). They have been characterized by XRD, SEM, TEM, XPS, XAS, PIXE and EPMA. The sintering conditions of these materials have been studied and optimized in order to obtain sintered samples with a measured density very near the theoretical densities. A kinetic study of the dissolution of ThO 2 and of solid solutions Th 1-x U x O 2 has been carried out in several aqueous media (HNO 3 , HCl, H 2 SO 4 ) in terms of several parameters: protons concentration, temperature, pH, ionic strength, nature of the electrolyte solution and uranium molar ratio for the solid solutions Th 1-x U x O 2 in order to determine the kinetic laws of dissolution of the solid solutions having different compositions comparatively to ThO 2 . The leaching tests carried out in natural waters of compositions near those of the deep geologic sites considered for the storage of nuclear wastes have shown that the dissolution of the solids was bound to the complexing effect of the constitutional ions of the water considered. The leaching tests carried out on sintered samples of the same composition have led to the same normalized dissolution velocities. The thermodynamic aspect of the dissolution of the solid solutions Th 1-x U x O 2 in nitric medium has been studied at last. (O.M.)

  4. Study of the oxidation-reduction kinetics involved in the Np(V) + Fe(II) in equilibrium Np(IV) + Fe(III) system in nitric acid solutions

    International Nuclear Information System (INIS)

    Jao, Y.

    1975-08-01

    Ferrous nitrate-hydrazine is one of the more attractive alternate reactants to the currently used reagent, ferrous sulfamate, for partitioning plutonium from neptunium and uranium. An understanding of the kinetics of the reduction of Np(VI) to Np(IV) by ferrous nitrate-hydrazine is needed before a satisfactory evaluation of the feasibility of this reductant in actinide element separations can be made. The purpose of this work was to study the kinetics and mechanisms of the reduction of Np(V) by Fe(II) and the oxidation of Np(IV) by Fe(III) in 1-2 M nitric acid solutions. The acid concentration range was chosen to include that typically used in the separation of plutonium from neptunium and uranium by solvent extraction with tributylphosphate. The forward and reverse rate constants, hydrogen ion dependence, temperature dependence, ionic strength effects and nitrate ion influence were determined. The proposed reaction mechanisms involve protonation of the NpO 2 + ions and hydroxyoxygenation of Np 4 + ions. (LK)

  5. MammoGrid: a mammography database

    CERN Multimedia

    2002-01-01

    What would be the advantages if physicians around the world could gain access to a unique mammography database? The answer may come from MammoGrid, a three-year project under the Fifth Framework Programme of the EC. Led by CERN, MammoGrid involves the UK (the Universities of Oxford, Cambridge and the West of England, Bristol, plus the company Mirada Solutions of Oxford), and Italy (the Universities of Pisa and Sassari and the Hospitals in Udine and Torino). The aim of the project is, in light of emerging GRID technology, to develop a Europe-wide database of mammograms. The database will be used to investigate a set of important healthcare applications as well as the potential of the GRID to enable healthcare professionals throughout the EU to work together effectively. The contributions of the partners include building the GRID-database infrastructure, developing image processing and Computer Aided Detection techniques, and making the clinical evaluation. The first project meeting took place at CERN in Sept...

  6. In-memory databases and innovations in Business Intelligence

    Directory of Open Access Journals (Sweden)

    Ruxandra BABEANU

    2015-07-01

    Full Text Available The large amount of data that companies are dealing with, day by day, is a big challenge for the traditional BI systems and databases. A significant part of this data is usually wasted because the companies do not own the appropriate capacity to process it. In the actual competitive environment, this lost data could point up valuable information if it was analyzed and put in the right context. In these circumstances, in-memory databases seem to be the solution. This innovative technology combined with specialized BI solutions offers high performance and satisfaction to users and comes up with new data modeling and processing options.

  7. Study of kinetics of extraction of actinides in processes of reprocessing of nuclear fuels

    International Nuclear Information System (INIS)

    Lamotte, Claude

    1978-01-01

    This research thesis reports a bibliographical study on extraction kinetics. After some generalities on solvent-based extraction, and on the chemistry of actinides in solution, on the methods of kinetics study which are generally used and their mathematical treatments, the author compares the published results for the extraction kinetics of nitric acid, uranium VI, uranium IV, neptunium IV and plutonium IV [fr

  8. Kinetic theory of tearing instability

    International Nuclear Information System (INIS)

    Hazeltine, R.D.; Dobrott, D.; Wang, T.S.

    1975-01-01

    The guiding-center kinetic equation with Fokker-Planck collision term is used to study, in cylindrical geometry, a class of dissipative instabilities of which the classical tearing mode is an archetype. Variational solution of the kinetic equation obviates the use of an approximate Ohm's law or adiabatic assumption, as used in previous studies, and it provides a dispersive relation which is uniformly valid for any ratio of wave frequency to collision frequency. One result of using the rigorous collision operator is the prediction of a new instability. This instability, driven by the electron temperature gradient, is predicted to occur under the long mean-free path conditions of present tokamak experiments, and has significant features in common with the kink-like oscillations observed in such experiments

  9. Kinetic description of quasi-stationary axisymmetric collisionless accretion disk plasmas with arbitrary magnetic field configurations

    International Nuclear Information System (INIS)

    Cremaschini, Claudio; Miller, John C.; Tessarotto, Massimo

    2011-01-01

    A kinetic treatment is developed for collisionless magnetized plasmas occurring in high-temperature, low-density astrophysical accretion disks, such as are thought to be present in some radiatively inefficient accretion flows onto black holes. Quasi-stationary configurations are investigated, within the framework of a Vlasov-Maxwell description. The plasma is taken to be axisymmetric and subject to the action of slowly time-varying gravitational and electromagnetic fields. The magnetic field is assumed to be characterized by a family of locally nested but open magnetic surfaces. The slow collisionless dynamics of these plasmas is investigated, yielding a reduced gyrokinetic Vlasov equation for the kinetic distribution function. For doing this, an asymptotic quasi-stationary solution is first determined, represented by a generalized bi-Maxwellian distribution expressed in terms of the relevant adiabatic invariants. The existence of the solution is shown to depend on having suitable kinetic constraints and conditions leading to particle trapping phenomena. With this solution, one can treat temperature anisotropy, toroidal and poloidal flow velocities, and finite Larmor-radius effects. An asymptotic expansion for the distribution function permits analytic evaluation of all the relevant fluid fields. Basic theoretical features of the solution and their astrophysical implications are discussed. As an application, the possibility of describing the dynamics of slowly time-varying accretion flows and the self-generation of magnetic field by means of a ''kinetic dynamo effect'' are discussed. Both effects are shown to be related to intrinsically kinetic physical mechanisms.

  10. Some Considerations about Modern Database Machines

    Directory of Open Access Journals (Sweden)

    Manole VELICANU

    2010-01-01

    Full Text Available Optimizing the two computing resources of any computing system - time and space - has al-ways been one of the priority objectives of any database. A current and effective solution in this respect is the computer database. Optimizing computer applications by means of database machines has been a steady preoccupation of researchers since the late seventies. Several information technologies have revolutionized the present information framework. Out of these, those which have brought a major contribution to the optimization of the databases are: efficient handling of large volumes of data (Data Warehouse, Data Mining, OLAP – On Line Analytical Processing, the improvement of DBMS – Database Management Systems facilities through the integration of the new technologies, the dramatic increase in computing power and the efficient use of it (computer networks, massive parallel computing, Grid Computing and so on. All these information technologies, and others, have favored the resumption of the research on database machines and the obtaining in the last few years of some very good practical results, as far as the optimization of the computing resources is concerned.

  11. Batch study, equilibrium and kinetics of adsorption of naphthalene using waste tyre rubber granules

    Directory of Open Access Journals (Sweden)

    Felix A. Aisien

    2014-04-01

    Full Text Available The potential use of waste tyre rubber granules (WTRG for the batch adsorption of naphthalene from aqueous solutions was investigated. The effect of various operational variables such as contact time, initial naphthalene concentration, adsorbent dose, size of adsorbent particles, and temperature of solution on the adsorption capacity of WTRG was evaluated. The adsorption of naphthalene by WTRG was a fast kinetic process with an equilibrium contact time of 60 min. A low temperature (5°C, small adsorbent particle size (0.212 mm and higher adsorbent dosage favored the adsorption process. Results of isotherm studies revealed that adsorption of naphthalene was best described by the Langmuir isotherm equation (R2=0.997 while the kinetics of the process was best described by the Lagergren pseudofirst order kinetic equation (R2=0.998. This study has demonstrated the suitability of WTRG for the removal of naphthalene from aqueous solution.

  12. Understanding release kinetics of biopolymer drug delivery microcapsules for biomedical applications

    International Nuclear Information System (INIS)

    Desai, Salil; Perkins, Jessica; Harrison, Benjamin S.; Sankar, Jag

    2010-01-01

    Drug delivery and dosage concentrations are considered as major focal points in conventional as well as battlefield emergency medicine. The concept of localizing drug delivery via microcapsules is an evolving field to confine the adverse side effects of high concentration drug doses. This paper focuses on understanding release kinetics through biopolymer microcapsules for time-dependent drug release. Calcium alginate microcapsules were manufactured using a direct-write inkjet technique. Rhodamine 6G was used as the release agent to observe the release kinetics from calcium alginate beads in distilled water. A design of experiments was constructed to compare the effect of the microcapsule diameter and different concentrations of calcium chloride (M) and sodium alginate (%, w/v) solutions on the release kinetics profiles of the microcapsules. This research gives insight to identify favorable sizes of microcapsules and concentrations of sodium alginate and calcium chloride solutions for controlled release behavior of drug delivery microcapsules.

  13. Split kinetic energy method for quantum systems with competing potentials

    International Nuclear Information System (INIS)

    Mineo, H.; Chao, Sheng D.

    2012-01-01

    For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such a kind of problems, we develop a general solution scheme based on a new energy dissection idea. Instead of dividing the potential energy into “unperturbed” and “perturbed” terms, a partition of the kinetic energy is performed. By distributing the kinetic energy term in part into each individual potential, the Hamiltonian can be expressed as the sum of the subsystem Hamiltonians with respective competing potentials. The total wavefunction is expanded by using a linear combination of the basis sets of respective subsystem Hamiltonians. We first illustrate the solution procedure using a simple system consisting of a particle under the action of double δ-function potentials. Next, this method is applied to the prototype systems of a charged harmonic oscillator in strong magnetic field and the hydrogen molecule ion. Compared with the usual perturbation approach, this new scheme converges much faster to the exact solutions for both eigenvalues and eigenfunctions. When properly extended, this new solution scheme can be very useful for dealing with strongly coupling quantum systems. - Highlights: ► A new basis set expansion method is proposed. ► Split kinetic energy method is proposed to solve quantum eigenvalue problems. ► Significant improvement has been obtained in converging to exact results. ► Extension of such methods is promising and discussed.

  14. Generic Entity Resolution in Relational Databases

    Science.gov (United States)

    Sidló, Csaba István

    Entity Resolution (ER) covers the problem of identifying distinct representations of real-world entities in heterogeneous databases. We consider the generic formulation of ER problems (GER) with exact outcome. In practice, input data usually resides in relational databases and can grow to huge volumes. Yet, typical solutions described in the literature employ standalone memory resident algorithms. In this paper we utilize facilities of standard, unmodified relational database management systems (RDBMS) to enhance the efficiency of GER algorithms. We study and revise the problem formulation, and propose practical and efficient algorithms optimized for RDBMS external memory processing. We outline a real-world scenario and demonstrate the advantage of algorithms by performing experiments on insurance customer data.

  15. Upgrade of laser and electron beam welding database

    CERN Document Server

    Furman, Magdalena

    2014-01-01

    The main purpose of this project was to fix existing issues and update the existing database holding parameters of laser-beam and electron-beam welding machines. Moreover, the database had to be extended to hold the data for the new machines that arrived recently at the workshop. As a solution - the database had to be migrated to Oracle framework, the new user interface (using APEX) had to be designed and implemented with the integration with the CERN web services (EDMS, Phonebook, JMT, CDD and EDH).

  16. A comparison of database systems for XML-type data.

    Science.gov (United States)

    Risse, Judith E; Leunissen, Jack A M

    2010-01-01

    In the field of bioinformatics interchangeable data formats based on XML are widely used. XML-type data is also at the core of most web services. With the increasing amount of data stored in XML comes the need for storing and accessing the data. In this paper we analyse the suitability of different database systems for storing and querying large datasets in general and Medline in particular. All reviewed database systems perform well when tested with small to medium sized datasets, however when the full Medline dataset is queried a large variation in query times is observed. There is not one system that is vastly superior to the others in this comparison and, depending on the database size and the query requirements, different systems are most suitable. The best all-round solution is the Oracle 11~g database system using the new binary storage option. Alias-i's Lingpipe is a more lightweight, customizable and sufficiently fast solution. It does however require more initial configuration steps. For data with a changing XML structure Sedna and BaseX as native XML database systems or MySQL with an XML-type column are suitable.

  17. Equilibrium and kinetic models for colloid release under transient solution chemistry conditions

    Science.gov (United States)

    We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and...

  18. Metamaterial characterization using Boltzmann's kinetic equation for electrons

    DEFF Research Database (Denmark)

    Novitsky, Andrey; Zhukovsky, Sergei; Novitsky, D.

    2013-01-01

    Statistical properties of electrons in metals are taken into consideration to describe the microscopic motion of electrons. Assuming degenerate electron gas in metal, we introduce the Boltzmann kinetic equation to supplement Maxwell's equations. The solution of these equations clearly shows...

  19. Elastic-Plastic J-Integral Solutions or Surface Cracks in Tension Using an Interpolation Methodology. Appendix C -- Finite Element Models Solution Database File, Appendix D -- Benchmark Finite Element Models Solution Database File

    Science.gov (United States)

    Allen, Phillip A.; Wells, Douglas N.

    2013-01-01

    No closed form solutions exist for the elastic-plastic J-integral for surface cracks due to the nonlinear, three-dimensional nature of the problem. Traditionally, each surface crack must be analyzed with a unique and time-consuming nonlinear finite element analysis. To overcome this shortcoming, the authors have developed and analyzed an array of 600 3D nonlinear finite element models for surface cracks in flat plates under tension loading. The solution space covers a wide range of crack shapes and depths (shape: 0.2 less than or equal to a/c less than or equal to 1, depth: 0.2 less than or equal to a/B less than or equal to 0.8) and material flow properties (elastic modulus-to-yield ratio: 100 less than or equal to E/ys less than or equal to 1,000, and hardening: 3 less than or equal to n less than or equal to 20). The authors have developed a methodology for interpolating between the goemetric and material property variables that allows the user to reliably evaluate the full elastic-plastic J-integral and force versus crack mouth opening displacement solution; thus, a solution can be obtained very rapidly by users without elastic-plastic fracture mechanics modeling experience. Complete solutions for the 600 models and 25 additional benchmark models are provided in tabular format.

  20. Initial value problem for the equations of reactor kinetics

    International Nuclear Information System (INIS)

    Kyncl, J.

    1987-08-01

    The initial value problem for the equations of reactor kinetics is solved while taking temperature feedback into account. The space where the problem is solved is chosen such as to correspond to the mathematical properties of cross-section models. The local solution is found by the iterative method, its uniqueness is proved and it is also shown that the existence of global solution is ensured in most cases. Finally, the problem of a weak solution is discussed. (author). 5 refs

  1. Scale out databases for CERN use cases

    International Nuclear Information System (INIS)

    Baranowski, Zbigniew; Grzybek, Maciej; Canali, Luca; Garcia, Daniel Lanza; Surdy, Kacper

    2015-01-01

    Data generation rates are expected to grow very fast for some database workloads going into LHC run 2 and beyond. In particular this is expected for data coming from controls, logging and monitoring systems. Storing, administering and accessing big data sets in a relational database system can quickly become a very hard technical challenge, as the size of the active data set and the number of concurrent users increase. Scale-out database technologies are a rapidly developing set of solutions for deploying and managing very large data warehouses on commodity hardware and with open source software. In this paper we will describe the architecture and tests on database systems based on Hadoop and the Cloudera Impala engine. We will discuss the results of our tests, including tests of data loading and integration with existing data sources and in particular with relational databases. We will report on query performance tests done with various data sets of interest at CERN, notably data from the accelerator log database. (paper)

  2. Management of virtualized infrastructure for physics databases

    International Nuclear Information System (INIS)

    Topurov, Anton; Gallerani, Luigi; Chatal, Francois; Piorkowski, Mariusz

    2012-01-01

    Demands for information storage of physics metadata are rapidly increasing together with the requirements for its high availability. Most of the HEP laboratories are struggling to squeeze more from their computer centers, thus focus on virtualizing available resources. CERN started investigating database virtualization in early 2006, first by testing database performance and stability on native Xen. Since then we have been closely evaluating the constantly evolving functionality of virtualisation solutions for database and middle tier together with the associated management applications – Oracle's Enterprise Manager and VM Manager. This session will detail our long experience in dealing with virtualized environments, focusing on newest Oracle OVM 3.0 for x86 and Oracle Enterprise Manager functionality for efficiently managing your virtualized database infrastructure.

  3. Microstructural evolution under high flux irradiation of dilute Fe-CuNiMnSi alloys studied by an atomic kinetic Monte Carlo model accounting for both vacancies and self interstitials

    International Nuclear Information System (INIS)

    Vincent, E.; Becquart, C.S.; Domain, C.

    2008-01-01

    Under neutron irradiation, a large amount of point defects (vacancies and interstitials) are created. In the irradiated pressure vessel steels, weakly alloyed, these point defects are responsible for the diffusion of the solute atoms, leading to the formation of solute rich precipitates within the matrix. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si). For Mn, the results of these calculations lead to think that solute transport in α-Fe can very likely take place through an interstitial mechanism as well as via vacancies while the other solutes (Cu, Ni and Si) which establish strong bonds with vacancies diffuse more likely via vacancies only. The database thus created has been used to parameterize an atomic kinetic Monte Carlo model taking into account both vacancies and interstitials. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model will be presented

  4. Microstructural evolution under high flux irradiation of dilute Fe CuNiMnSi alloys studied by an atomic kinetic Monte Carlo model accounting for both vacancies and self interstitials

    Science.gov (United States)

    Vincent, E.; Becquart, C. S.; Domain, C.

    2008-12-01

    Under neutron irradiation, a large amount of point defects (vacancies and interstitials) are created. In the irradiated pressure vessel steels, weakly alloyed, these point defects are responsible for the diffusion of the solute atoms, leading to the formation of solute rich precipitates within the matrix. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si). For Mn, the results of these calculations lead to think that solute transport in α-Fe can very likely take place through an interstitial mechanism as well as via vacancies while the other solutes (Cu, Ni and Si) which establish strong bonds with vacancies diffuse more likely via vacancies only. The database thus created has been used to parameterize an atomic kinetic Monte Carlo model taking into account both vacancies and interstitials. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model will be presented.

  5. Comparisons of kinetics, thermodynamics and regeneration of tetramethylammonium hydroxide adsorption in aqueous solution with graphene oxide, zeolite and activated carbon

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Shenteng; Lu, Chungsying, E-mail: clu@nchu.edu.tw; Lin, Kun-Yi Andrew

    2015-01-30

    Graphical abstract: A comparison of TMAH adsorption capacity with GO, NaY and GAC is conducted and the result reveals that the magnitude of qe follows the order of GO > NaY > GAC. The adsorption capacity of GO is significantly higher than those of zeolite and activated carbon in this and reported studies, showing its encouraging potential. GO also exhibits good reversibility of TMAH adsorption through 10 cycles of adsorption and desorption process. This reflects that GO is a promising and efficient adsorbent for TMAH removal in wastewater treatment. - Highlights: • Adsorption kinetics and isotherms of TMAH to GO, NaY and GAC are compared. • Thermodynamics of TMAH adsorption to GO, NaY and GAC is determined. • GO exhibits the highest TMAH adsorption capacity, followed by NaY and GAC. • Recyclabilities of NaY and GO remain above 95% but that of GAC dropped to 70%. - Abstract: Graphene oxide (GO), sodium Y-type zeolite (NaY) and granular activated carbon (GAC) are selected as adsorbents to study their kinetics, thermodynamics and regeneration of tetramethylammonium hydroxide (TMAH) adsorption from water. The adsorption kinetics follows the pseudo-second-order rate law while the adsorption thermodynamics shows an exothermic reaction with GO and GAC but displays an endothermic reaction with NaY. The adsorbed TMAH can be readily desorbed from the surface of GO and NaY by 0.05 M NaCl solution. A comparative study on the cyclic TMAH adsorption with GO, NaY and GAC is also conducted and the results reveal that GO exhibits the greatest TMAH adsorption capacity as well as superior reversibility of TMAH adsorption over 10 cycles of adsorption and desorption process. These features indicate that GO is a promising and efficient adsorbent for TMAH removal in wastewater treatment.

  6. Polymer solution phase separation: Microgravity simulation

    Science.gov (United States)

    Cerny, Lawrence C.; Sutter, James K.

    1989-01-01

    In many multicomponent systems, a transition from a single phase of uniform composition to a multiphase state with separated regions of different composition can be induced by changes in temperature and shear. The density difference between the phase and thermal and/or shear gradients within the system results in buoyancy driven convection. These differences affect kinetics of the phase separation if the system has a sufficiently low viscosity. This investigation presents more preliminary developments of a theoretical model in order to describe effects of the buoyancy driven convection in phase separation kinetics. Polymer solutions were employed as model systems because of the ease with which density differences can be systematically varied and because of the importance of phase separation in the processing and properties of polymeric materials. The results indicate that the kinetics of the phase separation can be performed viscometrically using laser light scattering as a principle means of following the process quantitatively. Isopycnic polymer solutions were used to determine the viscosity and density difference limits for polymer phase separation.

  7. Kinetics of protein adsorption/desorption mediated by pH-responsive polymer layer

    International Nuclear Information System (INIS)

    Su Xiao-Hang; Lei Qun-Li; Ren Chun-Lai

    2015-01-01

    We propose a new way of regulating protein adsorption by using a pH-responsive polymer. According to the theoretical results obtained from the molecular theory and kinetic approaches, both thermodynamics and kinetics of protein adsorption are verified to be well controlled by the solution pH. The kinetics and the amount of adsorbed proteins at equilibrium are greatly increased when the solution environment changes from acid to neutral. The reason is that the increased pH promotes the dissociation of the weak polyelectrolyte, resulting in more charged monomers and more stretched chains. Thus the steric repulsion within the polymer layer is weakened, which effectively lowers the barrier felt by the protein during the process of adsorption. Interestingly, we also find that the kinetics of protein desorption is almost unchanged with the variation of pH. It is because although the barrier formed by the polymer layer changes along with the change of pH, the potential at contact with the surface varies equally. Our results may provide useful insights into controllable protein adsorption/desorption in practical applications. (paper)

  8. Revisiting Reuse in Main Memory Database Systems

    OpenAIRE

    Dursun, Kayhan; Binnig, Carsten; Cetintemel, Ugur; Kraska, Tim

    2016-01-01

    Reusing intermediates in databases to speed-up analytical query processing has been studied in the past. Existing solutions typically require intermediate results of individual operators to be materialized into temporary tables to be considered for reuse in subsequent queries. However, these approaches are fundamentally ill-suited for use in modern main memory databases. The reason is that modern main memory DBMSs are typically limited by the bandwidth of the memory bus, thus query execution ...

  9. Diffusion kinetics and spinodal decay of quasi-equilibrium solid solutions

    International Nuclear Information System (INIS)

    Zakharov, M.A.

    2000-01-01

    Phenomenological theory for rearrangement of solid solutions with the hierarchy of the component atomic mobilities is elaborated in the approximation of the local equilibrium. The hydrodynamic stage of the evolution of these solutions is studied as a sequence of quasi-equilibrium states characterized by implementation of some conditions of the total equilibrium. On the basis of separation of fast and slow constituents of diffusion and on the basis of the method of reduced description one derived equation for evolution of separations of fast components in quasi-equilibrium solid solutions at the arbitrary stages of rearrangement in terms of the generalized lattice model taking account of the proper volumes of the components. The conditions of the stability of quasi-equilibrium solutions to the spinodal decomposition are determined and the equations of metastability boundaries of such systems are derived [ru

  10. Chemical kinetics of detonation in some liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Raikova, Vlada M.; Likholatov, Evgeny A. [Mendeleev University of Chemical Technology, Moscow (Russian Federation)

    2005-09-01

    The main objective of this work is to study the chemical kinetics of detonation reactions in some nitroester mixtures and solutions of nitrocompounds in concentrated nitric acid. The main source of information on chemical kinetics in the detonation wave was the experimental dependence of failure diameter on composition of mixtures. Calculations were carried out in terms of classic theory of Dremin using the SGKR computer code. Effective values for the activation energies and pre-exponential factors for detonation reactions in the mixtures under investigation have been defined. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  11. Relativistic kinetics of baryon production in hot Universe

    International Nuclear Information System (INIS)

    Ignat'ev, Yu.G.

    1985-01-01

    The process of baryon production in the hot Universe is investigated in the framework of the relativistic kinetic theory. The exact solution of kinetic equations for supermassive bosons is obtained, thus giving the possibility to correct the results of previous papers: the known optimum domain of baryon production m sub(X) > α sub(X)msub(PI)√N js complemented by the small-mass boson domain, m sub(X) << α sub(X) m sub(PI)√N; as a result, the cosmological lower-limit restriction on the superheavy bosons masses js removed

  12. Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation

    International Nuclear Information System (INIS)

    Liu, Chongxuan; Shi, Zhenqing; Zachara, John M.

    2009-01-01

    Stirred-flow cell experiments were performed to investigate the kinetics of uranyl (U(VI)) desorption from a contaminated sediment collected from the Hanford 300 Area at the US Department of Energy (DOE) Hanford Site, Washington. Three influent solutions of variable pH, Ca and carbonate concentrations that affected U(VI) aqueous and surface speciation were used under dynamic flow conditions to evaluate the effect of geochemical conditions on the rate of U(VI) desorption. The measured rate of U(VI) desorption varied with solution chemical composition that evolved as a result of thermodynamic and kinetic interactions between the influent solutions and sediment. The solution chemical composition that led to a lower equilibrium U(VI) sorption to the solid phase yielded a faster desorption rate. The experimental results were used to evaluate a multi-rate, surface complexation model (SCM) that has been proposed to describe U(VI) desorption kinetics in the Hanford sediment that contained complex sorbed U(VI) species in mass transfer limited domains. The model was modified and supplemented by including multi-rate, ion exchange reactions to describe the geochemical interactions between the solutions and sediment. With the same set of model parameters, the modified model reasonably well described the evolution of major ions and the rates of U(VI) desorption under variable geochemical and flow conditions, implying that the multi-rate SCM is an effective way to describe U(VI) desorption kinetics in subsurface sediments

  13. Coarsening kinetics of γ' precipitates in the Ni-Al-Mo system

    International Nuclear Information System (INIS)

    Wang Tao; Sheng Guang; Liu Zikui; Chen Longqing

    2008-01-01

    The effect of Mo on the microstructure evolution and coarsening kinetics of γ' precipitates in the Ni-Al-Mo system is studied using phase-field simulations with inputs from thermodynamic, kinetic and lattice parameter databases. For alloys of different compositions, the precipitate morphology and the statistical information of precipitate sizes are predicted as a function of annealing time. It is observed that increasing Mo content leads to a change of the precipitate morphology from being cuboidal to spherical as well as a reduction in the coarsening rate. Comparison between simulated results and existing experimental microstructure morphologies and coarsening rates shows good agreements

  14. Adsorption kinetics of ion of Pb2+ using Tricalcium Phosphate particles

    Science.gov (United States)

    Fadli, A.; Yenti, S. R.; Akbar, F.; Maihendra; Mawarni, F.

    2018-04-01

    One of the heavy metals that can pollute water is Pb2+. The concentration of ion Pb2+ can be removed using the adsorption method. The purpose of this research is to determine the adsorption kinetics model of ions Pb2+ using tricalcium phosphate (TCP) particles with variation of the temperature and adsorbent dosage. Five hundred mililiter Pb2+ solution with of 3 mg/L were added 0,5 gr, 1 gr and 1,5 gr of TCP in a glass beaker and stirred with rate of 300 rpm at a temperature of 30 °C, 40 °C and 50 °C. Pb2+ concentration in solution was analyzed by AAS (Atomic Adsorption Spectroscopy). The results showed that the rate of adsorption increased with the increasing of the temperature and adsorbent dosage. Minimum constant value of adsorption kinetic was 1,720 g/mg.min obtained at temperature of 30 °C and adsorbent dosageof 0,5 gr. The maximum value of adsorption kinetic constant was 9,755 g/mg.min obtained at temperature of 50 °C and adsorbent dosage of 1,5 gr. The appropriate model for adsorption kinetics followed the pseudo second order.

  15. Adsorption of cesium on cement mortar from aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Volchek, Konstantin, E-mail: konstantin.volchek@ec.gc.ca [Emergencies Science and Technology Section, Environment Canada, 335 River Road, Ottawa, Ontario, Canada K1A 0H3 (Canada); Miah, Muhammed Yusuf [Emergencies Science and Technology Section, Environment Canada, 335 River Road, Ottawa, Ontario, Canada K1A 0H3 (Canada); Department of Applied Chemistry and Chemical Technology, Noakhali Science and Technology University (Bangladesh); Kuang, Wenxing; DeMaleki, Zack [Emergencies Science and Technology Section, Environment Canada, 335 River Road, Ottawa, Ontario, Canada K1A 0H3 (Canada); Tezel, F. Handan [Department of Chemical and Biological Engineering, University of Ottawa, 161 Louis-Pasteur, Ottawa, Ontario, Canada K1N 6N5 (Canada)

    2011-10-30

    Highlights: {yields} The adsorption of cesium on cement mortar was investigated in a range of temperatures and cesium concentrations. {yields} The pseudo-second order kinetic model produced a good fit with the experimental kinetic data. {yields} Equilibrium test results correlated well with the Freundlich isotherm adsorption model. {yields} The interaction between cesium ions and cement mortar was dominated by chemical adsorption. - Abstract: The adsorption of cesium on cement mortar from aqueous solutions was studied in series of bench-scale tests. The effects of cesium concentration, temperature and contact time on process kinetics and equilibrium were evaluated. Experiments were carried out in a range of initial cesium concentrations from 0.0103 to 10.88 mg L{sup -1} and temperatures from 278 to 313 K using coupons of cement mortar immersed in the solutions. Non-radioactive cesium chloride was used as a surrogate of the radioactive {sup 137}Cs. Solution samples were taken after set periods of time and analyzed by inductively coupled plasma mass spectroscopy. Depending on the initial cesium concentration, its equilibrium concentration in solution ranged from 0.0069 to 8.837 mg L{sup -1} while the respective surface concentration on coupons varied from 0.0395 to 22.34 {mu}g cm{sup -2}. Equilibrium test results correlated well with the Freundlich isotherm model for the entire test duration. Test results revealed that an increase in temperature resulted in an increase in adsorption rate and a decrease in equilibrium cesium surface concentration. Among several kinetic models considered, the pseudo-second order reaction model was found to be the best to describe the kinetic test results in the studied range of concentrations. The adsorption activation energy determined from Arrhenius equation was found to be approximately 55.9 kJ mol{sup -1} suggesting that chemisorption was the prevalent mechanism of interaction between cesium ions and cement mortar.

  16. Stochastic kinetics

    International Nuclear Information System (INIS)

    Colombino, A.; Mosiello, R.; Norelli, F.; Jorio, V.M.; Pacilio, N.

    1975-01-01

    A nuclear system kinetics is formulated according to a stochastic approach. The detailed probability balance equations are written for the probability of finding the mixed population of neutrons and detected neutrons, i.e. detectrons, at a given level for a given instant of time. Equations are integrated in search of a probability profile: a series of cases is analyzed through a progressive criterium. It tends to take into account an increasing number of physical processes within the chosen model. The most important contribution is that solutions interpret analytically experimental conditions of equilibrium (moise analysis) and non equilibrium (pulsed neutron measurements, source drop technique, start up procedures)

  17. Kinetic models for irreversible processes on a lattice

    Energy Technology Data Exchange (ETDEWEB)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.

  18. Kinetic models for irreversible processes on a lattice

    International Nuclear Information System (INIS)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism

  19. Renormalizing the kinetic energy operator in elementary quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Coutinho, F A B [Faculdade de Medicina, Universidade de Sao Paulo e LIM 01-HCFMUSP, 05405-000 Sao Paulo (Brazil); Amaku, M [Faculdade de Medicina Veterinaria e Zootecnia, Universidade de Sao Paulo, 05508-970 Sao Paulo (Brazil)], E-mail: coutinho@dim.fm.usp.br

    2009-09-15

    In this paper, we consider solutions to the three-dimensional Schroedinger equation of the form {psi}(r) = u(r)/r, where u(0) {ne} 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly cancelling the kinetic energy divergence. This renormalization procedure produces a self-adjoint Hamiltonian. We solve some problems with this new Hamiltonian to illustrate its usefulness.

  20. Renormalizing the kinetic energy operator in elementary quantum mechanics

    International Nuclear Information System (INIS)

    Coutinho, F A B; Amaku, M

    2009-01-01

    In this paper, we consider solutions to the three-dimensional Schroedinger equation of the form ψ(r) = u(r)/r, where u(0) ≠ 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly cancelling the kinetic energy divergence. This renormalization procedure produces a self-adjoint Hamiltonian. We solve some problems with this new Hamiltonian to illustrate its usefulness.

  1. Adsorption isotherms, kinetics and column operations for the removal of hazardous dye, Tartrazine from aqueous solutions using waste materials-Bottom Ash and De-Oiled Soya, as adsorbents

    International Nuclear Information System (INIS)

    Mittal, Alok; Mittal, Jyoti; Kurup, Lisha

    2006-01-01

    Adsorbents, Bottom Ash (a power plant waste) and De-Oiled Soya (an agricultural waste) exhibit good efficacy to adsorb a highly toxic dye, Tartrazine. Through the batch technique equilibrium uptake of the dye is observed at different concentrations, pH of the solution, dosage of adsorbents and sieve size of adsorbents. Langmuir and Freundlich adsorption isotherms are successfully employed on both the adsorbents and on the basis of these models the thermodynamic parameters are evaluated. Kinetic investigations reveal that more than 50% adsorption of dye is achieved in about 1 h in both the cases, whereas, equilibrium establishment takes about 3-4 h. The linear plots obtained in rate constant and mass transfer studies further confirm the applicability of first order rate expression and mass transfer model, respectively. The kinetic data treated to identify rate controlling step of the ongoing adsorption processes indicate that for both the systems, particle diffusion process is predominant at higher concentrations, while film diffusion takes place at lower concentrations. The column studies reveal that about 96% saturation of both the columns is attained during their exhaustion, while about 88 and 84% of the dye material is recovered by eluting dilute NaOH solution through exhausted Bottom Ash and De-Oiled Soya columns, respectively

  2. Adsorption isotherms, kinetics and column operations for the removal of hazardous dye, Tartrazine from aqueous solutions using waste materials-Bottom Ash and De-Oiled Soya, as adsorbents

    Energy Technology Data Exchange (ETDEWEB)

    Mittal, Alok [Department of Applied Chemistry, Maulana Azad National Institute of Technology, Bhopal 462 007 (India)]. E-mail: aljymittal@yahoo.co.in; Mittal, Jyoti [Department of Applied Chemistry, Maulana Azad National Institute of Technology, Bhopal 462 007 (India); Kurup, Lisha [Department of Applied Chemistry, Maulana Azad National Institute of Technology, Bhopal 462 007 (India)

    2006-08-25

    Adsorbents, Bottom Ash (a power plant waste) and De-Oiled Soya (an agricultural waste) exhibit good efficacy to adsorb a highly toxic dye, Tartrazine. Through the batch technique equilibrium uptake of the dye is observed at different concentrations, pH of the solution, dosage of adsorbents and sieve size of adsorbents. Langmuir and Freundlich adsorption isotherms are successfully employed on both the adsorbents and on the basis of these models the thermodynamic parameters are evaluated. Kinetic investigations reveal that more than 50% adsorption of dye is achieved in about 1 h in both the cases, whereas, equilibrium establishment takes about 3-4 h. The linear plots obtained in rate constant and mass transfer studies further confirm the applicability of first order rate expression and mass transfer model, respectively. The kinetic data treated to identify rate controlling step of the ongoing adsorption processes indicate that for both the systems, particle diffusion process is predominant at higher concentrations, while film diffusion takes place at lower concentrations. The column studies reveal that about 96% saturation of both the columns is attained during their exhaustion, while about 88 and 84% of the dye material is recovered by eluting dilute NaOH solution through exhausted Bottom Ash and De-Oiled Soya columns, respectively.

  3. Adsorption isotherms, kinetics and column operations for the removal of hazardous dye, Tartrazine from aqueous solutions using waste materials--Bottom Ash and De-Oiled Soya, as adsorbents.

    Science.gov (United States)

    Mittal, Alok; Mittal, Jyoti; Kurup, Lisha

    2006-08-25

    Adsorbents, Bottom Ash (a power plant waste) and De-Oiled Soya (an agricultural waste) exhibit good efficacy to adsorb a highly toxic dye, Tartrazine. Through the batch technique equilibrium uptake of the dye is observed at different concentrations, pH of the solution, dosage of adsorbents and sieve size of adsorbents. Langmuir and Freundlich adsorption isotherms are successfully employed on both the adsorbents and on the basis of these models the thermodynamic parameters are evaluated. Kinetic investigations reveal that more than 50% adsorption of dye is achieved in about 1h in both the cases, whereas, equilibrium establishment takes about 3-4h. The linear plots obtained in rate constant and mass transfer studies further confirm the applicability of first order rate expression and mass transfer model, respectively. The kinetic data treated to identify rate controlling step of the ongoing adsorption processes indicate that for both the systems, particle diffusion process is predominant at higher concentrations, while film diffusion takes place at lower concentrations. The column studies reveal that about 96% saturation of both the columns is attained during their exhaustion, while about 88 and 84% of the dye material is recovered by eluting dilute NaOH solution through exhausted Bottom Ash and De-Oiled Soya columns, respectively.

  4. Kinetic models for historical processes of fast invasion and aggression

    Science.gov (United States)

    Aristov, Vladimir V.; Ilyin, Oleg V.

    2015-04-01

    In the last few decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological, and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France, and the USSR based on kinetic theory. We simulate this process with the Cauchy boundary problem for two-element kinetic equations. The solution of the problem is given in the form of a traveling wave. The propagation velocity of a front line depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the front-line velocities agree with the historical data.

  5. Effect of the synthesis temperature of sodium nona-titanate on batch kinetics of strontium-ion adsorption from aqueous solution

    International Nuclear Information System (INIS)

    Merceille, A.; Weinzaepfel, E.; Grandjean, A.; Merceille, A.; Weinzaepfel, E.; Barre, Y.

    2011-01-01

    Sodium titanate materials are promising inorganic ion exchangers for the adsorption of strontium from aqueous solutions. Sodium nona-titanate exhibits a layered structure consisting of titanate layers and exchangeable sodium ions between the layers. The materials used in this study include samples synthesized by a hydrothermal method at temperatures between 60 degrees C and 200 degrees C. Their structure, composition, and morphology were investigated with X-Ray diffraction measurements; thermogravimetric, compositional and surface area analyses, and scanning electron microscopy. The structure, composition, and morphology depended on the synthesis temperature. Batch kinetics experiments for the removal of strontium from aqueous solutions were performed, and the data were fitted by a pseudo-second-order reaction model and a diffusive model. The strontium extraction capacity also depended on the synthesis temperature and exhibited a maximum for samples synthesized at 100 degrees C. The sorption process occurs in one or two diffusion-controlled steps that also depend on the synthesis temperature. These diffusion-limited steps are the boundary-layer diffusion and intra-particle diffusion in the case of pure nona-titanate synthesized at temperatures lower than 170 degrees C, and only intra-particle diffusion in the case of nona-titanate synthesized at 200 degrees C. (authors)

  6. Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

    Science.gov (United States)

    Chu, Khim Hoong

    2017-11-09

    Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

  7. LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

    Science.gov (United States)

    Radhakrishnan, Krishnan

    1994-01-01

    LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

  8. Heavy Metal Adsorption onto Kappaphycus sp. from Aqueous Solutions: The Use of Error Functions for Validation of Isotherm and Kinetics Models.

    Science.gov (United States)

    Rahman, Md Sayedur; Sathasivam, Kathiresan V

    2015-01-01

    Biosorption process is a promising technology for the removal of heavy metals from industrial wastes and effluents using low-cost and effective biosorbents. In the present study, adsorption of Pb(2+), Cu(2+), Fe(2+), and Zn(2+) onto dried biomass of red seaweed Kappaphycus sp. was investigated as a function of pH, contact time, initial metal ion concentration, and temperature. The experimental data were evaluated by four isotherm models (Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich) and four kinetic models (pseudo-first-order, pseudo-second-order, Elovich, and intraparticle diffusion models). The adsorption process was feasible, spontaneous, and endothermic in nature. Functional groups in the biomass involved in metal adsorption process were revealed as carboxylic and sulfonic acids and sulfonate by Fourier transform infrared analysis. A total of nine error functions were applied to validate the models. We strongly suggest the analysis of error functions for validating adsorption isotherm and kinetic models using linear methods. The present work shows that the red seaweed Kappaphycus sp. can be used as a potentially low-cost biosorbent for the removal of heavy metal ions from aqueous solutions. Further study is warranted to evaluate its feasibility for the removal of heavy metals from the real environment.

  9. Gelation on heating of supercooled gelatin solutions.

    Science.gov (United States)

    Guigo, Nathanaël; Sbirrazzuoli, Nicolas; Vyazovkin, Sergey

    2012-04-23

    Diluted (1.0-1.5 wt%) aqueous gelatin solutions have been cooled to -10 °C at a cooling rate 20 °C min(-1) without freezing and detectable gelation. When heated at a constant heating rate (0.5 -2 °C min(-1)), the obtained supercooled solutions demonstrate an atypical process of gelation that has been characterized by regular and stochastically modulated differential scanning calorimetry (DSC) as well as by isoconversional kinetic analysis. The process is detectable as an exothermic peak in the total heat flow of regular DSC and in the nonreversing heat flow of stochastically modulated DSC. Isoconversional kinetic analysis applied to DSC data reveals that the effective activation energy of the process increases from approximately 75 to 200 kJ mol(-1) as a supercooled solution transforms to gel on continuous heating. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Kinetics of neptunim(6) reduction by hydroxylamine in chloric acid solutions

    International Nuclear Information System (INIS)

    Shilov, V.P.; Stepanova, E.S.; Krot, N.N.

    1975-01-01

    Stoichiometry and kinetics of neptunium (6) reaction with hydroxylamine is studied by spectrophotometric method at the ionic strength equal to unity and at 20-30 deg C. The reaction obeys the equation: -d[Np(6)]/dt = k 0 [Np(6)][NH 3 OH + ]/[H + ]sup(0.74), where k 0 = 2.6 M -1 min -1 at 25 deg C. Possible mechanism of the process includes two steps

  11. Federated Database Services for Wind Tunnel Experiment Workflows

    Directory of Open Access Journals (Sweden)

    A. Paventhan

    2006-01-01

    Full Text Available Enabling the full life cycle of scientific and engineering workflows requires robust middleware and services that support effective data management, near-realtime data movement and custom data processing. Many existing solutions exploit the database as a passive metadata catalog. In this paper, we present an approach that makes use of federation of databases to host data-centric wind tunnel application workflows. The user is able to compose customized application workflows based on database services. We provide a reference implementation that leverages typical business tools and technologies: Microsoft SQL Server for database services and Windows Workflow Foundation for workflow services. The application data and user's code are both hosted in federated databases. With the growing interest in XML Web Services in scientific Grids, and with databases beginning to support native XML types and XML Web services, we can expect the role of databases in scientific computation to grow in importance.

  12. Equilibrium, kinetic and thermodynamic studies of uranium biosorption by calcium alginate beads

    International Nuclear Information System (INIS)

    Bai, Jing; Fan, Fangli; Wu, Xiaolei; Tian, Wei; Zhao, Liang; Yin, Xiaojie; Fan, Fuyou; Li, Zhan; Tian, Longlong; Wang, Yang; Qin, Zhi; Guo, Junsheng

    2013-01-01

    Calcium alginate beads are potential biosorbent for radionuclides removal as they contain carboxyl groups. However, until now limited information is available concerning the uptake behavior of uranium by this polymer gel, especially when sorption equilibrium, kinetics and thermodynamics are concerned. In present work, batch experiments were carried out to study the equilibrium, kinetics and thermodynamics of uranium sorption by calcium alginate beads. The effects of initial solution pH, sorbent amount, initial uranium concentration and temperature on uranium sorption were also investigated. The determined optimal conditions were: initial solution pH of 3.0, added sorbent amount of 40 mg, and uranium sorption capacity increased with increasing initial uranium concentration and temperature. Equilibrium data obtained under different temperatures were fitted better with Langmuir model than Freundlich model, uranium sorption was dominated by a monolayer way. The kinetic data can be well depicted by the pseudo-second-order kinetic model. The activation energy derived from Arrhenius equation was 30.0 kJ/mol and the sorption process had a chemical nature. Thermodynamic constants such as ΔH 0 , ΔS 0 and ΔG 0 were also evaluated, results of thermodynamic study showed that the sorption process was endothermic and spontaneous. -- Highlights: • Equilibrium, kinetics and thermodynamics of uranium sorption by CaAlg were studied. • Equilibrium studies show that Langmuir isotherm better fit with experimental data. • Pseudo-second-order kinetics model is found to be well depicting the kinetic data. • Thermodynamic study shows that the sorption process is endothermic and spontaneous

  13. DISPL-1, 2. Order Nonlinear Partial Differential Equation System Solution for Kinetics Diffusion Problems

    International Nuclear Information System (INIS)

    Leaf, G.K.; Minkoff, M.

    1982-01-01

    1 - Description of problem or function: DISPL1 is a software package for solving second-order nonlinear systems of partial differential equations including parabolic, elliptic, hyperbolic, and some mixed types. The package is designed primarily for chemical kinetics- diffusion problems, although not limited to these problems. Fairly general nonlinear boundary conditions are allowed as well as inter- face conditions for problems in an inhomogeneous medium. The spatial domain is one- or two-dimensional with rectangular Cartesian, cylindrical, or spherical (in one dimension only) geometry. 2 - Method of solution: The numerical method is based on the use of Galerkin's procedure combined with the use of B-Splines (C.W.R. de-Boor's B-spline package) to generate a system of ordinary differential equations. These equations are solved by a sophisticated ODE software package which is a modified version of Hindmarsh's GEAR package, NESC Abstract 592. 3 - Restrictions on the complexity of the problem: The spatial domain must be rectangular with sides parallel to the coordinate geometry. Cross derivative terms are not permitted in the PDE. The order of the B-Splines is at most 12. Other parameters such as the number of mesh points in each coordinate direction, the number of PDE's etc. are set in a macro table used by the MORTRAn2 preprocessor in generating the object code

  14. Aspects of the design of distributed databases

    OpenAIRE

    Burlacu Irina-Andreea

    2011-01-01

    Distributed data - data, processed by a system, can be distributed among several computers, but it is accessible from any of them. A distributed database design problem is presented that involves the development of a global model, a fragmentation, and a data allocation. The student is given a conceptual entity-relationship model for the database and a description of the transactions and a generic network environment. A stepwise solution approach to this problem is shown, based on mean value a...

  15. Kinetics of Scheelite Conversion in Sulfuric Acid

    Science.gov (United States)

    Shen, Leiting; Li, Xiaobin; Zhou, Qiusheng; Peng, Zhihong; Liu, Guihua; Qi, Tiangui; Taskinen, Pekka

    2018-02-01

    Complete conversion of scheelite in H2SO4 solution plays a key role in exploration of cleaner technology for producing ammonium paratungstate. In this work, the factors influencing scheelite conversion were investigated experimentally to model its kinetics. The results indicated that the conversion rate increases with increasing temperature and reducing particle size, but is almost independent of stirring speed. Moreover, although the conversion rate increases with increasing initial H2SO4 concentration (≤ 1.25 mol/L), it decreases rapidly at 1.5 mol/L H2SO4 after 10 min due to formation of a H2WO4 layer. The experimental data agree quite well with the shrinking core model under chemical reaction control in ≤ 1.25 mol/L H2SO4 solution, and the kinetic equation was established as: 1- ( 1- α )^{ 1 / 3} = 2 2 2 5 4 6. 6\\cdot C_{{{H}_{ 2} {SO}_{ 4} }}^{ 1. 2 2 6} \\cdot r_{ 0}^{ - 1} \\cdot e^{{ - 3 9 2 6 0/RT}} \\cdot t (t, min). This work could contribute to better understanding of scheelite conversion in H2SO4 solution and development of a new route for ammonium paratungstate production.

  16. TRENDS: The aeronautical post-test database management system

    Science.gov (United States)

    Bjorkman, W. S.; Bondi, M. J.

    1990-01-01

    TRENDS, an engineering-test database operating system developed by NASA to support rotorcraft flight tests, is described. Capabilities and characteristics of the system are presented, with examples of its use in recalling and analyzing rotorcraft flight-test data from a TRENDS database. The importance of system user-friendliness in gaining users' acceptance is stressed, as is the importance of integrating supporting narrative data with numerical data in engineering-test databases. Considerations relevant to the creation and maintenance of flight-test database are discussed and TRENDS' solutions to database management problems are described. Requirements, constraints, and other considerations which led to the system's configuration are discussed and some of the lessons learned during TRENDS' development are presented. Potential applications of TRENDS to a wide range of aeronautical and other engineering tests are identified.

  17. Adsorption isotherms and kinetics for dibenzothiophene on activated

    Indian Academy of Sciences (India)

    Adsorption isotherms were obtained and desulphurization kinetics were carried out on solutions of dibenzothiophene (DBT) and thiophene in a model fuel. The efficiencies of DBT and thiophene removal were reported. The adsorption isotherms fitted the Langmuir and Freundlich models. The highest adsorption capacity for ...

  18. The relational clinical database: a possible solution to the star wars in registry systems.

    Science.gov (United States)

    Michels, D K; Zamieroski, M

    1990-12-01

    In summary, having data from other service areas available in a relational clinical database could resolve many of the problems existing in today's registry systems. Uniting sophisticated information systems into a centralized database system could definitely be a corporate asset in managing the bottom line.

  19. Generic Natural Systems Evaluation - Thermodynamic Database Development and Data Management

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T W; Sutton, M

    2011-09-19

    , meaning that they use a large body of thermodynamic data, generally from a supporting database file, to sort out the various important reactions from a wide spectrum of possibilities, given specified inputs. Usually codes of this kind are used to construct models of initial aqueous solutions that represent initial conditions for some process, although sometimes these calculations also represent a desired end point. Such a calculation might be used to determine the major chemical species of a dissolved component, the solubility of a mineral or mineral-like solid, or to quantify deviation from equilibrium in the form of saturation indices. Reactive transport codes such as TOUGHREACT and NUFT generally require the user to determine which chemical species and reactions are important, and to provide the requisite set of information including thermodynamic data in an input file. Usually this information is abstracted from the output of a geochemical modeling code and its supporting thermodynamic data file. The Yucca Mountain Project (YMP) developed two qualified thermodynamic databases to model geochemical processes, including ones involving repository components such as spent fuel. The first of the two (BSC, 2007a) was for systems containing dilute aqueous solutions only, the other (BSC, 2007b) for systems involving concentrated aqueous solutions and incorporating a model for such based on Pitzer's (1991) equations. A 25 C-only database with similarities to the latter was also developed for the Waste Isolation Pilot Plant (WIPP, cf. Xiong, 2005). The NAGRA/PSI database (Hummel et al., 2002) was developed to support repository studies in Europe. The YMP databases are often used in non-repository studies, including studies of geothermal systems (e.g., Wolery and Carroll, 2010) and CO2 sequestration (e.g., Aines et al., 2011).

  20. Generic Natural Systems Evaluation - Thermodynamic Database Development and Data Management

    International Nuclear Information System (INIS)

    Wolery, T.W.; Sutton, M.

    2011-01-01

    they use a large body of thermodynamic data, generally from a supporting database file, to sort out the various important reactions from a wide spectrum of possibilities, given specified inputs. Usually codes of this kind are used to construct models of initial aqueous solutions that represent initial conditions for some process, although sometimes these calculations also represent a desired end point. Such a calculation might be used to determine the major chemical species of a dissolved component, the solubility of a mineral or mineral-like solid, or to quantify deviation from equilibrium in the form of saturation indices. Reactive transport codes such as TOUGHREACT and NUFT generally require the user to determine which chemical species and reactions are important, and to provide the requisite set of information including thermodynamic data in an input file. Usually this information is abstracted from the output of a geochemical modeling code and its supporting thermodynamic data file. The Yucca Mountain Project (YMP) developed two qualified thermodynamic databases to model geochemical processes, including ones involving repository components such as spent fuel. The first of the two (BSC, 2007a) was for systems containing dilute aqueous solutions only, the other (BSC, 2007b) for systems involving concentrated aqueous solutions and incorporating a model for such based on Pitzer's (1991) equations. A 25 C-only database with similarities to the latter was also developed for the Waste Isolation Pilot Plant (WIPP, cf. Xiong, 2005). The NAGRA/PSI database (Hummel et al., 2002) was developed to support repository studies in Europe. The YMP databases are often used in non-repository studies, including studies of geothermal systems (e.g., Wolery and Carroll, 2010) and CO2 sequestration (e.g., Aines et al., 2011).

  1. Reverse Stability Kinetics of Meat Pigment Oxidation in Aqueous Extract from Fresh Beef.

    Science.gov (United States)

    Frelka, John C; Phinney, David M; Wick, Macdonald P; Heldman, Dennis R

    2017-12-01

    The use of kinetic models is an evolving approach to describing quality changes in foods during processes, including storage. Previous studies indicate that the oxidation rate of myoglobin is accelerated under frozen storage conditions, a phenomenon termed reverse stability. The goal of this study was to develop a model for meat pigment oxidation to incorporate the phenomenon of reverse stability. In this investigation, the model system was an aqueous extract from beef which was stored under a range of temperatures, both unfrozen and frozen. The kinetic analysis showed that in unfrozen solutions, the temperature dependence of oxidation rate followed Arrhenius kinetics. However, under in frozen solutions the rate of oxidation increased with decreasing temperature until reaching a local maximum around -20 °C. The addition of NaCl to the model system increased oxidation rates at all temperatures, even above the initial freezing temperature. This observation suggests that this reaction is dependent on the ionic strength of the solution as well as temperature. The mechanism of this deviant kinetic behavior is not fully understood, but this study shows that the interplay of temperature and composition on the rate of oxidation of meat pigments is complicated and may involve multiple mechanisms. A better understanding of the kinetics of quality loss in a meat system allows for a re-examination of the current recommendations for frozen storage. The deviant kinetic behavior observed in this study indicates that the relationship between quality loss and temperature in a frozen food is not as simple as once thought. Product-specific recommendations could be implemented in the future that would allow for a decrease in energy consumption without a significant loss of quality. © 2017 Institute of Food Technologists®.

  2. Kinetics Analysis of Synthesis Reaction of Struvite With Air-Flow Continous Vertical Reactors

    Science.gov (United States)

    Edahwati, L.; Sutiyono, S.; Muryanto, S.; Jamari, J.; Bayuseno, dan A. P.

    2018-01-01

    Kinetics reaction is a knowledge about a rate of chemical reaction. The differential of the reaction rate can be determined from the reactant material or the formed material. The reaction mechanism of a reactor may include a stage of reaction occurring sequentially during the process of converting the reactants into products. In the determination of reaction kinetics, the order of reaction and the rate constant reaction must be recognized. This study was carried out using air as a stirrer as a medium in the vertical reactor for crystallization of struvite. Stirring is one of the important aspects in struvite crystallization process. Struvite crystals or magnesium ammonium phosphate hexahydrates (MgNH4PO4·6H2O) is commonly formed in reversible reactions and can be generated as an orthorhombic crystal. Air is selected as a stirrer on the existing flow pattern in the reactor determining the reaction kinetics of the crystal from the solution. The experimental study was conducted by mixing an equimolar solution of 0.03 M NH4OH, MgCl2 and H3PO4 with a ratio of 1: 1: 1. The crystallization process of the mixed solution was observed in an inside reactor at the flow rate ranges of 16-38 ml/min and the temperature of 30°C was selected in the study. The air inlet rate was kept constant at 0.25 liters/min. The pH solution was adjusted to be 8, 9 and 10 by dropping wisely of 1 N KOH solution. The crystallization kinetics was examined until the steady state of the reaction was reached. The precipitates were filtered and dried at a temperature for subsequent material characterization, including Scanning Electron Microscope (SEM) and XRD (X-Ray diffraction) method. The results show that higher flow rate leads to less mass of struvite.

  3. Spectator Ions ARE Important! A Kinetic Study of the Copper-Aluminum Displacement Reaction

    Science.gov (United States)

    Sobel, Sabrina G.; Cohen, Skyler

    2010-01-01

    Surprisingly, spectator ions are responsible for unexpected kinetics in the biphasic copper(II)-aluminum displacement reaction, with the rate of reaction dependent on the identity of the otherwise ignored spectator ions. Application of a published kinetic analysis developed for a reaction between a rotating Al disk and a Cu(II) ion solution to the…

  4. Effect of surfactant on kinetics of thinning of capillary bridges

    Science.gov (United States)

    Nowak, Emilia; Kovalchuk, Nina; Simmons, Mark

    2015-11-01

    Kinetics of thinning of capillary bridges is of great scientific and industrial interest being of vital importance for example in various emulsification and microfluidic processes. It is well known that the rate of bridge thinning is proportional to the interfacial tension. Therefore it is expected that the process should slow down by addition of surfactant. The kinetics of capillary bridges in the presence of surfactant was studied by the dripping of liquid from a capillary tip under conditions of nearly zero flow rate (We personal care products. The viscosity, surfactant activity and adsorption kinetics have been controlled by addition of glycerol and sodium chloride. The study has shown that the kinetics of capillary bridges are determined by dynamic surface tension rather than by its equilibrium value. In particular, the kinetics of the bridge thinning for the 0.1 g L-1 aqueous SLES solution is practically the same as that of pure water despite twice lower equilibrium surface tension. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.

  5. The applications of chemical thermodynamics and chemical kinetics to planetary atmospheres research

    Science.gov (United States)

    Fegley, Bruce, Jr.

    1990-01-01

    A review of the applications of chemical thermodynamics and chemical kinetics to planetary atmospheres research during the past four decades is presented with an emphasis on chemical equilibrium models and thermochemical kinetics. Several current problems in planetary atmospheres research such as the origin of the atmospheres of the terrestrial planets, atmosphere-surface interactions on Venus and Mars, deep mixing in the atmospheres of the gas giant planets, and the origin of the atmospheres of outer planet satellites all require laboratory data on the kinetics of thermochemical reactions for their solution.

  6. Kinetics of aging of metastable solid electrolytes based on zirconium dioxide

    International Nuclear Information System (INIS)

    Vlasov, A.N.; Inozemtsev, M.V.

    1985-01-01

    Kinetics of aging of metastable solid electrolytes on the base of zirconium dioxide stabilized with 8-10 mol.%of yttrium, holmium, and scandium oxides has been studied within the 1200-1373 K temperature range. Kinetic equations describibg behaviour of electric conductivity of two-phase solid electrolytes within a wide temperature interval have been suggested. It has been established that at the initial stage of ageing in cubic solid solution two processes proceed independently of one another: growth of a number of new phase centres and of a volume of new phase centres. At large times growth of a number of new phase centres stops, and kinetics of electrolyte aging is defined only by the growth kinetics of a volume of new phase inclusions

  7. Modeling the kinetics of volatilization from glass melts

    NARCIS (Netherlands)

    Beerkens, R.G.C.

    2001-01-01

    A model description for the evaporation kinetics from glass melts in direct contact with static atmospheres or flowing gas phases is presented. The derived models and equations are based on the solution of the second Ficks' diffusion law and quasi-steady-state mass transfer relations, taking into

  8. Kinetic modeling of solid-state partitioning phase transformation with simultaneous misfit accommodation

    International Nuclear Information System (INIS)

    Song, Shaojie; Liu, Feng

    2016-01-01

    Considering a spherical misfitting precipitate growing into a finite elastic-perfectly plastic supersaturated matrix, a kinetic modeling for such solid-state partitioning phase transformation is presented, where the interactions of interface migration, solute diffusion and misfit accommodation are analyzed. The linkage between interface migration and solute diffusion proceeds through interfacial composition and interface velocity; their effects on misfit accommodation are mainly manifested in an effective transformation strain, which depends on instantaneous composition field and precipitate size. Taking γ to α transformation of a binary Fe-0.5 at.% C alloy under both isothermal and continuous cooling conditions as examples, the effects of misfit accommodation on the coupling interface migration and solute diffusion are well evaluated and discussed. For the isothermal transformation, a counterbalancing influence between mechanical and chemical driving forces is found so that the mixed-mode transformation kinetics is not sensitive with respect to the elastic–plastic accommodation of the effective misfit strain. Different from the isothermal process, during the continuous cooling condition, the effects of misfit accommodation on the kinetics of solid-state partitioning phase transformation are mainly manifested in the great decrease of the transformation starting temperature and the thermodynamic equilibrium composition. The present kinetic modeling was applied to predict the experimentally measured γ/α transformation of Fe-0.47 at.% C alloy conducted with a cooling rate of 10 K min −1 and a good agreement was achieved.

  9. Standardisation of an European end-user nutrient database for nutritional epidemiology: what can we learn from the EPIC Nutrient Database (ENDB) project?

    DEFF Research Database (Denmark)

    Slimani, N.; Deharveng, G.; Unwin, I.

    2007-01-01

    the absence of a reference European nutrient database for international nutritional epidemiology studies, the EPIC Nutrient Database (ENDB) project has been set up to standardise nutrient databases (NDBs) across 10 European countries participating in the EPIC study. This paper reports the main...... problems in harmonising NDBs experienced by end-user in the ENDB project and the solutions adopted to prevent and minimize them, which are also relevant for other large European nutritional studies. Furthermore, it provides end-user recommendations for improving the comparability of European and other NDBs...

  10. Scale out databases for CERN use cases

    CERN Document Server

    Baranowski, Zbigniew; Canali, Luca; Garcia, Daniel Lanza; Surdy, Kacper

    2015-01-01

    Data generation rates are expected to grow very fast for some database workloads going into LHC run 2 and beyond. In particular this is expected for data coming from controls, logging and monitoring systems. Storing, administering and accessing big data sets in a relational database system can quickly become a very hard technical challenge, as the size of the active data set and the number of concurrent users increase. Scale-out database technologies are a rapidly developing set of solutions for deploying and managing very large data warehouses on commodity hardware and with open source software. In this paper we will describe the architecture and tests on database systems based on Hadoop and the Cloudera Impala engine. We will discuss the results of our tests, including tests of data loading and integration with existing data sources and in particular with relational databases. We will report on query performance tests done with various data sets of interest at CERN, notably data from the accelerator log dat...

  11. Numerical solution of the point reactor kinetics equations with fuel burn-up and temperature feedback

    International Nuclear Information System (INIS)

    Tashakor, S.; Jahanfarnia, G.; Hashemi-Tilehnoee, M.

    2010-01-01

    Point reactor kinetics equations are solved numerically using one group of delayed neutrons and with fuel burn-up and temperature feedback included. To calculate the fraction of one-group delayed neutrons, a group of differential equations are solved by an implicit time method. Using point reactor kinetics equations, changes in mean neutrons density, temperature, and reactivity are calculated in different times during the reactor operation. The variation of reactivity, temperature, and maximum power with time are compared with the predictions by other methods.

  12. Kinetics of bromide catalysed oxidation of dextrose by cerium (IV) in aqueous sulphuric acid solution

    International Nuclear Information System (INIS)

    Sharma, J.; Sah, M.P.

    1994-01-01

    Kinetics of bromide catalysed oxidation of dextrose by Ce IV in aqueous sulphuric acid medium show first order dependence each in dextrose and cerium(IV). The reaction rate decreases on increasing the concentration of hydrogen ion. The increase in [HSO 4 - ] or [SO 4 2- ] decreases the rate. The bromide ion shows positive catalytic effect on the reaction rate. The value of activation energy has been calculated and a suitable mechanism confirming to the kinetic data is proposed. (author). 3 refs., 3 tabs

  13. Estimation of glucose kinetics in fetal-maternal studies: Potential errors, solutions, and limitations

    International Nuclear Information System (INIS)

    Menon, R.K.; Bloch, C.A.; Sperling, M.A.

    1990-01-01

    We investigated whether errors occur in the estimation of ovine maternal-fetal glucose (Glc) kinetics using the isotope dilution technique when the Glc pool is rapidly expanded by exogenous (protocol A) or endogenous (protocol C) Glc entry and sought possible solutions (protocol B). In protocol A (n = 8), after attaining steady-state Glc specific activity (SA) by [U-14C]glucose (period 1), infusion of Glc (period 2) predictably decreased Glc SA, whereas. [U-14C]glucose concentration unexpectedly rose from 7,208 +/- 367 (means +/- SE) in period 1 to 8,558 +/- 308 disintegrations/min (dpm) per ml in period 2 (P less than 0.01). Fetal endogenous Glc production (EGP) was negligible during period 1 (0.44 +/- 1.0), but yielded a physiologically impossible negative value of -2.1 +/- 0.72 mg.kg-1.min-1 during period 2. When the fall in Glc SA during Glc infusion was prevented by addition of [U-14C]glucose admixed with the exogenous Glc (protocol B; n = 7), EGP was no longer negative. In protocol C (n = 6), sequential infusions of four increasing doses of epinephrine serially decreased SA, whereas tracer Glc increased from 7,483 +/- 608 to 11,525 +/- 992 dpm/ml plasma (P less than 0.05), imposing an obligatory underestimation of EGP. Thus a tracer mixing problem leads to erroneous estimations of fetal Glc utilization and Glc production via the three-compartment model in sheep when the Glc pool is expanded exogenously or endogenously. These errors can be minimized by maintaining the Glc SA relatively constant

  14. Clean production of corn stover pulp using KOH+NH4OH solution and its kinetic during delignification

    Directory of Open Access Journals (Sweden)

    Sun Yong

    2012-01-01

    Full Text Available The self-made KOH together with NH4OH pulping of corn stover was investigated. The combined alkaline system could effectively remove lignin during pulping. There are three stages of lignin removal during delginification. Approximately 90% of lignin could be removed after temperature reached 150ºC for over 30 minutes. The p-hydroxyl phenol groups in lignin could be completely removed during the delignification reaction. The tendency of the increase of the crystalline degree of cellulose is observed with increase of reaction temperature. The kinetics of delignification is found to be the first order with respect to the remained lignin and the 0.4 order with respect to the remained hydroxide concentration. The activation energy of delignification is 23 kJ/mol. The solution obtained from precipitation of lignin is rich in nitrogen, phosphorous, potassium elements and organic matters. Various techniques including FT-IR, GPC, DSC, were applied to characterize the acid precipitated lignin. The result shows that the lignin with the polydispersity of 1.4 still maintains the p-coumaryl, coniferyl, and sinapyl units in its matrix.

  15. Kinetics of protein adsorption/desorption mediated by pH-responsive polymer layer

    Science.gov (United States)

    Su, Xiao-Hang; Lei, Qun-Li; Ren, Chun-Lai

    2015-11-01

    We propose a new way of regulating protein adsorption by using a pH-responsive polymer. According to the theoretical results obtained from the molecular theory and kinetic approaches, both thermodynamics and kinetics of protein adsorption are verified to be well controlled by the solution pH. The kinetics and the amount of adsorbed proteins at equilibrium are greatly increased when the solution environment changes from acid to neutral. The reason is that the increased pH promotes the dissociation of the weak polyelectrolyte, resulting in more charged monomers and more stretched chains. Thus the steric repulsion within the polymer layer is weakened, which effectively lowers the barrier felt by the protein during the process of adsorption. Interestingly, we also find that the kinetics of protein desorption is almost unchanged with the variation of pH. It is because although the barrier formed by the polymer layer changes along with the change of pH, the potential at contact with the surface varies equally. Our results may provide useful insights into controllable protein adsorption/desorption in practical applications. Project supported by the National Natural Science Foundation of China (Grant Nos. 21274062, 11474155, and 91027040).

  16. Equilibrium, kinetic and thermodynamic studies of adsorption of Th(IV) from aqueous solution onto kaolin

    International Nuclear Information System (INIS)

    Hongxia Zhang; Zhiwei Niu; Zhi Liu; Zhaodong Wen; Weiping Li; Xiaoyun Wang; Wangsuo Wu

    2015-01-01

    The kinetics and thermodynamics of the adsorption of Th(IV) on the kaolin were studied by using batch method. In addition, the experimental data were studied by dynamic and thermodynamic models. The results showed that the adsorption capacity of the adsorbent increased with increasing temperature and solid liquid ratio, but decreased with increasing initial Th(IV) ion concentration, and the best fit was obtained for the pseudo-second-order kinetics model. The calculated activation energy for adsorption was about 45 kJ/mol, which indicated the adsorption process to be chemisorption. The adsorption isotherm data could be well described by the Langmuir as well as Dubinin-Radushkevich model. The mean free energy (E) of adsorption was calculated to be about 15 kJ/mol. The thermodynamic data calculated showed that the adsorption was spontaneous and enhanced at higher temperature. Considering kinetics and equilibrium studies, the adsorption on the sites was the rate-limiting step and that adsorption was mainly a chemisorption process through cation exchange. (author)

  17. ATLAS DDM/DQ2 & NoSQL databases: Use cases and experiences

    CERN Multimedia

    CERN. Geneva

    2012-01-01

    NoSQL databases. This includes distributed file system like HDFS that support parallel execution of computational tasks on distributed data, as well as schema-less approaches via key-value/document stores, like HBase, Cassandra or MongoDB. These databases provide solutions to particular types...

  18. Landslide databases for applied landslide impact research: the example of the landslide database for the Federal Republic of Germany

    Science.gov (United States)

    Damm, Bodo; Klose, Martin

    2014-05-01

    running on PostgreSQL/PostGIS. This provides advanced functionality for spatial data analysis and forms the basis for future data provision and visualization using a WebGIS application. Analysis of landslide database contents shows that in most parts of Germany landslides primarily affect transportation infrastructures. Although with distinct lower frequency, recent landslides are also recorded to cause serious damage to hydraulic facilities and waterways, supply and disposal infrastructures, sites of cultural heritage, as well as forest, agricultural, and mining areas. The main types of landslide damage are failure of cut and fill slopes, destruction of retaining walls, street lights, and forest stocks, burial of roads, backyards, and garden areas, as well as crack formation in foundations, sewer lines, and building walls. Landslide repair and mitigation at transportation infrastructures is dominated by simple solutions such as catch barriers or rock fall drapery. These solutions are often undersized and fail under stress. The use of costly slope stabilization or protection systems is proven to reduce these risks effectively over longer maintenance cycles. The right balancing of landslide mitigation is thus a crucial problem in managing landslide risks. Development and analysis of such landslide databases helps to support decision-makers in finding efficient solutions to minimize landslide risks for human beings, infrastructures, and financial assets.

  19. Kinetically controlled synthesis of large-scale morphology-tailored silver nanostructures at low temperature

    Science.gov (United States)

    Zhang, Ling; Zhao, Yuda; Lin, Ziyuan; Gu, Fangyuan; Lau, Shu Ping; Li, Li; Chai, Yang

    2015-08-01

    Ag nanostructures are widely used in catalysis, energy conversion and chemical sensing. Morphology-tailored synthesis of Ag nanostructures is critical to tune physical and chemical properties. In this study, we develop a method for synthesizing the morphology-tailored Ag nanostructures in aqueous solution at a low temperature (45 °C). With the use of AgCl nanoparticles as the precursor, the growth kinetics of Ag nanostructures can be tuned with the pH value of solution and the concentration of Pd cubes which catalyze the reaction. Ascorbic acid and cetylpyridinium chloride are used as the mild reducing agent and capping agent in aqueous solution, respectively. High-yield Ag nanocubes, nanowires, right triangular bipyramids/cubes with twinned boundaries, and decahedra are successfully produced. Our method opens up a new environmentally-friendly and economical route to synthesize large-scale and morphology-tailored Ag nanostructures, which is significant to the controllable fabrication of Ag nanostructures and fundamental understanding of the growth kinetics.Ag nanostructures are widely used in catalysis, energy conversion and chemical sensing. Morphology-tailored synthesis of Ag nanostructures is critical to tune physical and chemical properties. In this study, we develop a method for synthesizing the morphology-tailored Ag nanostructures in aqueous solution at a low temperature (45 °C). With the use of AgCl nanoparticles as the precursor, the growth kinetics of Ag nanostructures can be tuned with the pH value of solution and the concentration of Pd cubes which catalyze the reaction. Ascorbic acid and cetylpyridinium chloride are used as the mild reducing agent and capping agent in aqueous solution, respectively. High-yield Ag nanocubes, nanowires, right triangular bipyramids/cubes with twinned boundaries, and decahedra are successfully produced. Our method opens up a new environmentally-friendly and economical route to synthesize large-scale and morphology

  20. Theory of First Order Chemical Kinetics at the Critical Point of Solution.

    Science.gov (United States)

    Baird, James K; Lang, Joshua R

    2017-10-26

    Liquid mixtures, which have a phase diagram exhibiting a miscibility gap ending in a critical point of solution, have been used as solvents for chemical reactions. The reaction rate in the forward direction has often been observed to slow down as a function of temperature in the critical region. Theories based upon the Gibbs free energy of reaction as the driving force for chemical change have been invoked to explain this behavior. With the assumption that the reaction is proceeding under relaxation conditions, these theories expand the free energy in a Taylor series about the position of equilibrium. Since the free energy is zero at equilibrium, the leading term in the Taylor series is proportional to the first derivative of the free energy with respect to the extent of reaction. To analyze the critical behavior of this derivative, the theories exploit the principle of critical point isomorphism, which is thought to govern all critical phenomena. They find that the derivative goes to zero in the critical region, which accounts for the slowing down observed in the reaction rate. As has been pointed out, however, most experimental rate investigations have been carried out under irreversible conditions as opposed to relaxation conditions [Shen et al. J. Phys. Chem. A 2015, 119, 8784-8791]. Below, we consider a reaction governed by first order kinetics and invoke transition state theory to take into account the irreversible conditions. We express the apparent activation energy in terms of thermodynamic derivatives evaluated under standard conditions as well as the pseudoequilibrium conditions associated with the reactant and the activated complex. We show that these derivatives approach infinity in the critical region. The apparent activation energy follows this behavior, and its divergence accounts for the slowing down of the reaction rate.

  1. Databases for neurogenetics: introduction, overview, and challenges.

    Science.gov (United States)

    Sobrido, María-Jesús; Cacheiro, Pilar; Carracedo, Angel; Bertram, Lars

    2012-09-01

    The importance for research and clinical utility of mutation databases, as well as the issues and difficulties entailed in their construction, is discussed within the Human Variome Project. While general principles and standards can apply to most human diseases, some specific questions arise when dealing with the nature of genetic neurological disorders. So far, publically accessible mutation databases exist for only about half of the genes causing neurogenetic disorders; and a considerable work is clearly still needed to optimize their content. The current landscape, main challenges, some potential solutions, and future perspectives on genetic databases for disorders of the nervous system are reviewed in this special issue of Human Mutation on neurogenetics. © 2012 Wiley Periodicals, Inc.

  2. Kinetic modeling of the biosorption of Cd2+ ions from aqueous solutions onto Eichhornia crassipes roots using potentiometry: low-cost alternative to conventional methods

    Directory of Open Access Journals (Sweden)

    Carolina Martínez-Sánchez

    2013-01-01

    Full Text Available This work presents the use of potentiometric measurements for kinetic studies of biosorption of Cd2+ ions from aqueous solutions on Eichhornia crassipes roots. The open circuit potential of the Cd/Cd2+ electrode of the first kind was measured during the bioadsorption process. The amount of Cd2+ ions accumulated was determined in real time. The data were fit to different models, with the pseudo-second-order model proving to be the best in describing the data. The advantages and limitations of the methodology proposed relative to the traditional method are discussed.

  3. Morphology and Kinetics of Growth of CaCO3 Precipitates Formed in Saline Water at 30°C

    Science.gov (United States)

    Sui, Xin; Wang, Baohui; Wu, Haiming

    2018-02-01

    The crystallization kinetics and morphology of CaCO3 crystals precipitated from the high salinity oilfield water were studied. The crystallization kinetics measurements show that nucleation and nuclei growth obey the first order reaction kinetics. The induction period of precipitation is extended in the high salinity solutions. Morphological studies show that impurity ions remain mostly in the solution phase instead of filling the CaCO3 crystal lattice. The morphology of CaCO3 precipitates can be changed from a smooth surface (calcite) to rough spheres (vaterite), and spindle rod bundles, or spherical, ellipsoid, flowers, plates and other shapes (aragonite).

  4. Kinetic, Equilibrium and thermodynamic studies on the biosorption ...

    African Journals Online (AJOL)

    The kinetics, equilibrium and thermodynamics of the biosorption of Cd (II) from aqueous solution by the leaf biomass of Calotropis procera popularly known in western Nigeria as 'bom bom'and genrally known as Sodom apple were investigated at different experimental conditions. Optimum conditions of pH, contact time, ...

  5. Thermodynamic modeling and kinetics simulation of precipitate phases in AISI 316 stainless steels

    International Nuclear Information System (INIS)

    Yang, Y.; Busby, J.T.

    2014-01-01

    This work aims at utilizing modern computational microstructural modeling tools to accelerate the understanding of phase stability in austenitic steels under extended thermal aging. Using the CALPHAD approach, a thermodynamic database OCTANT (ORNL Computational Thermodynamics for Applied Nuclear Technology), including elements of Fe, C, Cr, Ni, Mn, Mo, Si, and Ti, has been developed with a focus on reliable thermodynamic modeling of precipitate phases in AISI 316 austenitic stainless steels. The thermodynamic database was validated by comparing the calculated results with experimental data from commercial 316 austenitic steels. The developed computational thermodynamics was then coupled with precipitation kinetics simulation to understand the temporal evolution of precipitates in austenitic steels under long-term thermal aging (up to 600,000 h) at a temperature regime from 300 to 900 °C. This study discusses the effect of dislocation density and difusion coefficients on the precipitation kinetics at low temperatures, which shed a light on investigating the phase stability and transformation in austenitic steels used in light water reactors

  6. A kinetic model for chemical neurotransmission

    Science.gov (United States)

    Ramirez-Santiago, Guillermo; Martinez-Valencia, Alejandro; Fernandez de Miguel, Francisco

    Recent experimental observations in presynaptic terminals at the neuromuscular junction indicate that there are stereotyped patterns of cooperativeness in the fusion of adjacent vesicles. That is, a vesicle in hemifusion process appears on the side of a fused vesicle and which is followed by another vesicle in a priming state while the next one is in a docking state. In this talk we present a kinetic model for this morphological pattern in which each vesicle state previous to the exocytosis is represented by a kinetic state. This chain states kinetic model can be analyzed by means of a Master equation whose solution is simulated with the stochastic Gillespie algorithm. With this approach we have reproduced the responses to the basal release in the absence of stimulation evoked by the electrical activity and the phenomena of facilitation and depression of neuromuscular synapses. This model offers new perspectives to understand the underlying phenomena in chemical neurotransmission based on molecular interactions that result in the cooperativity between vesicles during neurotransmitter release. DGAPA Grants IN118410 and IN200914 and Conacyt Grant 130031.

  7. Sulfide toxicity kinetics of a uasb reactor

    Directory of Open Access Journals (Sweden)

    D. R. Paula Jr.

    2009-12-01

    Full Text Available The effect of sulfide toxicity on kinetic parameters of anaerobic organic matter removal in a UASB (up-flow anaerobic sludge blanket reactor is presented. Two lab-scale UASB reactors (10.5 L were operated continuously during 12 months. The reactors were fed with synthetic wastes prepared daily using glucose, ammonium acetate, methanol and nutrient solution. One of the reactors also received increasing concentrations of sodium sulfide. For both reactors, the flow rate of 16 L.d-1 was held constant throughout the experiment, corresponding to a hydraulic retention time of 15.6 hours. The classic model for non-competitive sulfide inhibition was applied to the experimental data for determining the overall kinetic parameter of specific substrate utilization (q and the sulfide inhibition coefficient (Ki. The application of the kinetic parameters determined allows prediction of methanogenesis inhibition and thus the adoption of operating parameters to minimize sulfide toxicity in UASB reactors.

  8. Imperfect Dark Energy from Kinetic Gravity Braiding

    CERN Document Server

    Deffayet, Cedric; Sawicki, Ignacy; Vikman, Alexander

    2010-01-01

    We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energ...

  9. Bluetooth wireless database for scoliosis clinics.

    Science.gov (United States)

    Lou, E; Fedorak, M V; Hill, D L; Raso, J V; Moreau, M J; Mahood, J K

    2003-05-01

    A database system with Bluetooth wireless connectivity has been developed so that scoliosis clinics can be run more efficiently and data can be mined for research studies without significant increases in equipment cost. The wireless database system consists of a Bluetooth-enabled laptop or PC and a Bluetooth-enabled handheld personal data assistant (PDA). Each patient has a profile in the database, which has all of his or her clinical history. Immediately prior to the examination, the orthopaedic surgeon selects a patient's profile from the database and uploads that data to the PDA over a Bluetooth wireless connection. The surgeon can view the entire clinical history of the patient while in the examination room and, at the same time, enter in any new measurements and comments from the current examination. After seeing the patient, the surgeon synchronises the newly entered information with the database wirelessly and prints a record for the chart. This combination of the database and the PDA both improves efficiency and accuracy and can save significant time, as there is less duplication of work, and no dictation is required. The equipment required to implement this solution is a Bluetooth-enabled PDA and a Bluetooth wireless transceiver for the PC or laptop.

  10. Using Large Diabetes Databases for Research.

    Science.gov (United States)

    Wild, Sarah; Fischbacher, Colin; McKnight, John

    2016-09-01

    There are an increasing number of clinical, administrative and trial databases that can be used for research. These are particularly valuable if there are opportunities for linkage to other databases. This paper describes examples of the use of large diabetes databases for research. It reviews the advantages and disadvantages of using large diabetes databases for research and suggests solutions for some challenges. Large, high-quality databases offer potential sources of information for research at relatively low cost. Fundamental issues for using databases for research are the completeness of capture of cases within the population and time period of interest and accuracy of the diagnosis of diabetes and outcomes of interest. The extent to which people included in the database are representative should be considered if the database is not population based and there is the intention to extrapolate findings to the wider diabetes population. Information on key variables such as date of diagnosis or duration of diabetes may not be available at all, may be inaccurate or may contain a large amount of missing data. Information on key confounding factors is rarely available for the nondiabetic or general population limiting comparisons with the population of people with diabetes. However comparisons that allow for differences in distribution of important demographic factors may be feasible using data for the whole population or a matched cohort study design. In summary, diabetes databases can be used to address important research questions. Understanding the strengths and limitations of this approach is crucial to interpret the findings appropriately. © 2016 Diabetes Technology Society.

  11. Databases for highway inventories. Proposal for a new model

    Energy Technology Data Exchange (ETDEWEB)

    Perez Casan, J.A.

    2016-07-01

    Database models for highway inventories are based on classical schemes for relational databases: many related tables, in which the database designer establishes, a priori, every detail that they consider relevant for inventory management. This kind of database presents several problems. First, adapting the model and its applications when new database features appear is difficult. In addition, the different needs of different sets of road inventory users are difficult to fulfil with these schemes. For example, maintenance management services, road authorities and emergency services have different needs. In addition, this kind of database cannot be adapted to new scenarios, such as other countries and regions (that may classify roads or name certain elements differently). The problem is more complex if the language used in these scenarios is not the same as that used in the database design. In addition, technicians need a long time to learn to use the database efficiently. This paper proposes a flexible, multilanguage and multipurpose database model, which gives an effective and simple solution to the aforementioned problems. (Author)

  12. A conservative scheme of drift kinetic electrons for gyrokinetic simulation of kinetic-MHD processes in toroidal plasmas

    Science.gov (United States)

    Bao, J.; Liu, D.; Lin, Z.

    2017-10-01

    A conservative scheme of drift kinetic electrons for gyrokinetic simulations of kinetic-magnetohydrodynamic processes in toroidal plasmas has been formulated and verified. Both vector potential and electron perturbed distribution function are decomposed into adiabatic part with analytic solution and non-adiabatic part solved numerically. The adiabatic parallel electric field is solved directly from the electron adiabatic response, resulting in a high degree of accuracy. The consistency between electrostatic potential and parallel vector potential is enforced by using the electron continuity equation. Since particles are only used to calculate the non-adiabatic response, which is used to calculate the non-adiabatic vector potential through Ohm's law, the conservative scheme minimizes the electron particle noise and mitigates the cancellation problem. Linear dispersion relations of the kinetic Alfvén wave and the collisionless tearing mode in cylindrical geometry have been verified in gyrokinetic toroidal code simulations, which show that the perpendicular grid size can be larger than the electron collisionless skin depth when the mode wavelength is longer than the electron skin depth.

  13. Kinetics of release of a model disperse dye from supersaturated cellulose acetate matrices.

    Science.gov (United States)

    Papadokostaki, K G; Petropoulos, J H

    1998-08-14

    A study has been made of the kinetics of release into water of a model disperse dye (4-aminoazobenzene) from supersaturated solvent-cast cellulose acetate films at room temperature. Excess dye was introduced into the polymer matrix by: (i) sorption from aqueous solution at 100 degrees C; (ii) sorption from the vapour phase at 110 degrees C; or (iii) prior dissolution in the casting solvent. The effect of the method of introduction of the dye, the degree of supersaturation and the rate of agitation of the bath were investigated. Under conditions of strong agitation, the release kinetics from films dyed by method (i) or (iii) were in general accord with the theoretical model which assumes solute in the film in excess of the saturation limit to be in the form of immobile aggregates at equilibrium with mobile dye; although the value of the diffusion coefficient of the solute in the film was found to be substantially higher than that in the unsaturated film. On the other hand, when dyeing had been effected from the vapour phase, Fickian kinetics was followed and the diffusion coefficient was found to be equal to that observed in unsaturated film. It was concluded that under these conditions, the excess dye in the film tends to remain molecularly dispersed. Under conditions of slow agitation, the square root of t kinetics was not attained in many instances. General and early-time approximate expressions based on the Roseman-Higuchi model proved useful for the interpretation of the results in such cases; while the said model was extended to include the effect of significant variation of the partition coefficient of the solute with concentration.

  14. Simple re-instantiation of small databases using cloud computing.

    Science.gov (United States)

    Tan, Tin Wee; Xie, Chao; De Silva, Mark; Lim, Kuan Siong; Patro, C Pawan K; Lim, Shen Jean; Govindarajan, Kunde Ramamoorthy; Tong, Joo Chuan; Choo, Khar Heng; Ranganathan, Shoba; Khan, Asif M

    2013-01-01

    Small bioinformatics databases, unlike institutionally funded large databases, are vulnerable to discontinuation and many reported in publications are no longer accessible. This leads to irreproducible scientific work and redundant effort, impeding the pace of scientific progress. We describe a Web-accessible system, available online at http://biodb100.apbionet.org, for archival and future on demand re-instantiation of small databases within minutes. Depositors can rebuild their databases by downloading a Linux live operating system (http://www.bioslax.com), preinstalled with bioinformatics and UNIX tools. The database and its dependencies can be compressed into an ".lzm" file for deposition. End-users can search for archived databases and activate them on dynamically re-instantiated BioSlax instances, run as virtual machines over the two popular full virtualization standard cloud-computing platforms, Xen Hypervisor or vSphere. The system is adaptable to increasing demand for disk storage or computational load and allows database developers to use the re-instantiated databases for integration and development of new databases. Herein, we demonstrate that a relatively inexpensive solution can be implemented for archival of bioinformatics databases and their rapid re-instantiation should the live databases disappear.

  15. Comparative analysis among several methods used to solve the point kinetic equations

    International Nuclear Information System (INIS)

    Nunes, Anderson L.; Goncalves, Alessandro da C.; Martinez, Aquilino S.; Silva, Fernando Carvalho da

    2007-01-01

    The main objective of this work consists on the methodology development for comparison of several methods for the kinetics equations points solution. The evaluated methods are: the finite differences method, the stiffness confinement method, improved stiffness confinement method and the piecewise constant approximations method. These methods were implemented and compared through a systematic analysis that consists basically of confronting which one of the methods consume smaller computational time with higher precision. It was calculated the relative which function is to combine both criteria in order to reach the goal. Through the analyses of the performance factor it is possible to choose the best method for the solution of point kinetics equations. (author)

  16. Comparative analysis among several methods used to solve the point kinetic equations

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, Anderson L.; Goncalves, Alessandro da C.; Martinez, Aquilino S.; Silva, Fernando Carvalho da [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear; E-mails: alupo@if.ufrj.br; agoncalves@con.ufrj.br; aquilino@lmp.ufrj.br; fernando@con.ufrj.br

    2007-07-01

    The main objective of this work consists on the methodology development for comparison of several methods for the kinetics equations points solution. The evaluated methods are: the finite differences method, the stiffness confinement method, improved stiffness confinement method and the piecewise constant approximations method. These methods were implemented and compared through a systematic analysis that consists basically of confronting which one of the methods consume smaller computational time with higher precision. It was calculated the relative which function is to combine both criteria in order to reach the goal. Through the analyses of the performance factor it is possible to choose the best method for the solution of point kinetics equations. (author)

  17. Database Description - Trypanosomes Database | LSDB Archive [Life Science Database Archive metadata

    Lifescience Database Archive (English)

    Full Text Available List Contact us Trypanosomes Database Database Description General information of database Database name Trypanosomes Database...stitute of Genetics Research Organization of Information and Systems Yata 1111, Mishima, Shizuoka 411-8540, JAPAN E mail: Database...y Name: Trypanosoma Taxonomy ID: 5690 Taxonomy Name: Homo sapiens Taxonomy ID: 9606 Database description The... Article title: Author name(s): Journal: External Links: Original website information Database maintenance s...DB (Protein Data Bank) KEGG PATHWAY Database DrugPort Entry list Available Query search Available Web servic

  18. A feasible kinetic model for the hydrogen oxidation on ruthenium electrodes

    International Nuclear Information System (INIS)

    Rau, M.S.; Gennero de Chialvo, M.R.; Chialvo, A.C.

    2010-01-01

    The hydrogen oxidation reaction (hor) was studied on a polycrystalline ruthenium electrode in H 2 SO 4 solution at different rotation rates (ω). The experimental polarization curves recorded on steady state show the existence of a maximum current with a non-linear dependence of the current density on ω 1/2 . On the basis of the Tafel-Heyrovsky-Volmer kinetic mechanism, coupled with a process of inhibition of active sites by the reversible electroadsorption of hydroxyl species, it was possible to appropriately describe the origin of the maximum current. The corresponding set of kinetic parameters was also calculated from the correlation of the experimental results with the proposed kinetic model.

  19. Database of Small Molecule Thermochemistry for Combustion

    KAUST Repository

    Goldsmith, C. Franklin; Magoon, Gregory R.; Green, William H.

    2012-01-01

    High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in combustion chemistry, including many radical, biradical, and triplet species. These values are critical for accurate kinetic modeling. The RQCISD(T)/cc-PV∞QZ//B3LYP/6-311++G(d,p) method was used to compute the electronic energies. A bond additivity correction for this method has been developed to remove systematic errors in the enthalpy calculations, using the Active Thermochemical Tables as reference values. On the basis of comparison with the benchmark data, the 3σ uncertainty in the standard-state heat of formation is 0.9 kcal/mol, or within chemical accuracy. An uncertainty analysis is presented for the entropy and heat capacity. In many cases, the present values are the most accurate and comprehensive numbers available. The present work is compared to several published databases. In some cases, there are large discrepancies and errors in published databases; the present work helps to resolve these problems. © 2012 American Chemical Society.

  20. Database of Small Molecule Thermochemistry for Combustion

    KAUST Repository

    Goldsmith, C. Franklin

    2012-09-13

    High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in combustion chemistry, including many radical, biradical, and triplet species. These values are critical for accurate kinetic modeling. The RQCISD(T)/cc-PV∞QZ//B3LYP/6-311++G(d,p) method was used to compute the electronic energies. A bond additivity correction for this method has been developed to remove systematic errors in the enthalpy calculations, using the Active Thermochemical Tables as reference values. On the basis of comparison with the benchmark data, the 3σ uncertainty in the standard-state heat of formation is 0.9 kcal/mol, or within chemical accuracy. An uncertainty analysis is presented for the entropy and heat capacity. In many cases, the present values are the most accurate and comprehensive numbers available. The present work is compared to several published databases. In some cases, there are large discrepancies and errors in published databases; the present work helps to resolve these problems. © 2012 American Chemical Society.