Determination of kinetic parameters for biomass combustion.
Álvarez, A; Pizarro, C; García, R; Bueno, J L; Lavín, A G
2016-09-01
The aim of this work is to provide a wide database of kinetic data for the most common biomass by thermogravimetric analysis (TGA) and differential thermogravimetry (DTG). Due to the characteristic parameters of DTG curves, a two-stage reaction model is proposed and the kinetic parameters obtained from model-based methods with energy activation values for first and second stages in the range 1.75·10(4)-1.55·10(5)J/mol and 1.62·10(4)-2.37·10(5)J/mol, respectively. However, it has been found that Flynn-Wall-Ozawa and Kissinger-Akahira-Sunose model-free methods are not suitable to determine the kinetic parameters of biomass combustion since the assumptions of these two methods were not accomplished in the full range of the combustion process. PMID:27233095
Data assimilation for kinetic parameters uncertainty analysis
Several years ago, the OECD/NEA Nuclear Science Committee (NSC) established the Expert Group on Uncertainty Analysis in Modeling (UAM-LWR) after thorough discussions of the demands from nuclear research, industry, safety and regulation to provide the best estimate predictions of nuclear systems parameters with their confidence bounds. UAM objectives include among others, the quantification of uncertainties of neutronic calculations with respect to their value for the multi-physics analysis. Since the kinetics parameters and their uncertainties are of particular interest for these studies the deterministic approaches for analysis of uncertainties in nuclear reactor kinetic parameters (neutron generation lifetime and delayed neutron effective fraction) have been developed in frame of the UAM-LWR. The approach uses combination of generalization of perturbation theory to reactivity analysis, and the Generalized Perturbation Theory (GPT) for sensitivity computation. It has been applied to the UAM complementary fast neutron SNEAK test case that has unique set of experimental data for βeff. In this example, the covariance matrices of nuclear data have been derived from COMMARA library by Bayesian adjustment upon the set of the fast neutron integral benchmarks with the BERING code package. Then, the kinetic parameters uncertainties with their correlations have been applied to simplified model of a reactivity insertion transient where relative uncertainty of power peak was taken as figure of merit. The results demonstrate that the uncertainties due to nuclear data impact significantly the energy release in a coupled transient modeling. It was also found that such uncertainties become higher if the correlations between uncertainties of different lumped parameters are taken into account. (author)
Kinetic parameter estimation from TGA: Optimal design of TGA experiments
Dirion, Jean-Louis; Reverte, Cédric; Cabassud, Michel
2008-01-01
This work presents a general methodology to determine kinetic models of solid thermal decomposition with thermogravimetric analysis (TGA) instruments. The goal is to determine a simple and robust kinetic model for a given solid with the minimum of TGA experiments. From this last point of view, this work can be seen as an attempt to find the optimal design of TGA experiments for kinetic modelling. Two computation tools were developed. The first is a nonlinear parameter estimation procedure for...
Estimation of Kinetic Parameters in an Automotive SCR Catalyst Model
Åberg, Andreas; Widd, Anders; Abildskov, Jens;
2016-01-01
A challenge during the development of models for simulation of the automotive Selective Catalytic Reduction catalyst is the parameter estimation of the kinetic parameters, which can be time consuming and problematic. The parameter estimation is often carried out on small-scale reactor tests, or p...
Estimation of beech pyrolysis kinetic parameters by Shuffled Complex Evolution.
Ding, Yanming; Wang, Changjian; Chaos, Marcos; Chen, Ruiyu; Lu, Shouxiang
2016-01-01
The pyrolysis kinetics of a typical biomass energy feedstock, beech, was investigated based on thermogravimetric analysis over a wide heating rate range from 5K/min to 80K/min. A three-component (corresponding to hemicellulose, cellulose and lignin) parallel decomposition reaction scheme was applied to describe the experimental data. The resulting kinetic reaction model was coupled to an evolutionary optimization algorithm (Shuffled Complex Evolution, SCE) to obtain model parameters. To the authors' knowledge, this is the first study in which SCE has been used in the context of thermogravimetry. The kinetic parameters were simultaneously optimized against data for 10, 20 and 60K/min heating rates, providing excellent fits to experimental data. Furthermore, it was shown that the optimized parameters were applicable to heating rates (5 and 80K/min) beyond those used to generate them. Finally, the predicted results based on optimized parameters were contrasted with those based on the literature. PMID:26551654
Kinetic and Thermodynamic Parameters for Uncatalyzed Esterification of Carboxylic Acid
Kehinde S. Bankole
2014-06-01
Full Text Available A fundamental study on uncatalyzed esterification of various biomass-derived aliphatic carboxylic acids with stoichiometric amount of ethanol has been investigated in an isothermal batch reactor, with the objective to convert carboxylic acids to corresponding ethyl esters and to determine both the kinetic and thermodynamic parameters. The effects of temperature on the conversion of carboxylic acid, kinetic and thermodynamic parameters have been investigated. Temperature was found to have significant effect on the rate of reaction and conversion of carboxylic acid. A simple second order reversible kinetic model was developed to determine the kinetic and thermodynamic parameters. The thermodynamic and kinetic parameters varied for uncatalyzed esterification reaction of both short-chain and long-chain carboxylic acids considered. The predicted data from the kinetic model were correlated with experimental data and the two sets of data agreed reasonably well for the uncatalyzed esterification systems. It was observed that the Van’t Hoff plot for uncatalyzed esterification of linoleic acid was non-linear curve, whereas for the Arrhenius and Eyring plots, they were linear. Additional experiments to assess the catalytic and corrosion effects of several metallic substances revealed Inconel 625 alloy, nickel wire and stainless steel materials were susceptible to corrosion problem with uncatalyzed esterification reaction at elevated reaction temperatures. However, tantalum and grade-5 titanium materials were corrosion resistance metals, suitable for similar reaction conditions and this can encourage the design of a flow reactor system. Although, uncatalyzed esterification of carboxylic acids at elevated reaction temperature is still at laboratory scale. It is our hope that the estimated kinetic and thermodynamic parameters would be the guiding tools for reactor scale-up, thus providing a new perspective into the conversion of biomass-derived carboxylic
Nader Frikha
2011-01-01
Full Text Available Problem statement: The determination of reaction kinetics is of major importance, as for industrial reactors optimization as for environmental reasons or energy limitations. Although calorimetry is often used for the determination of thermodynamic parameters alone, the question that arises is: how can we apply the Differential Scanning Calorimetry for the determination of kinetic parameters. The objective of this study consists to proposing an original methodology for the simultaneous determination of thermodynamic and kinetic parameters, using a laboratory scale Differential Scanning Calorimeter (DSC. The method is applied to the dichromate-catalysed hydrogen peroxide decomposition. Approach: The methodology is based on operating of experiments carried out with a Differential Scanning Calorimeter. The interest of this approach proposed is that it requires very small quantities of reactants (about a few grams to be implemented. The difficulty lies in the fact that, using such microcalorimeters, the reactants temperature cannot directly be measured and a particular calibration procedure has thus to be developed, to determine the media temperature in an indirect way. The proposed methodology for determination of kinetics parameters is based on resolution of the coupled heat and mass balances. Results: A complete kinetic law is proposed. The Arrhenius parameters are determined as frequency factor k0 = 1.39×109 s−1 and activation energy E = 54.9 kJ mol−1. The measured enthalpy of reaction is ΔrH=−94 kJ mol−1. Conclusion: The comparison of the results obtained by such an original methodology with those obtained using a conventional laboratory scale reactor calorimetry, for the kinetics determination of, shows that this new approach is very relevant.
Determining crystal growth kinetic parameters using optical fibre sensors
Boerkamp, M.; Lamb, D. W.; Lye, P. G.
2012-12-01
The capability of an 'intrinsic exposed core optical fibre sensor' (IECOFS) as a monitoring device of scale formation has been evaluated. The IECOFS has been used to measure kinetics parameters of calcium carbonate heterogeneous crystal growth such as the activation energy, the crystal growth rate and the induction time. The IECOFS was able to evaluate crystal growth inhibition through the use of chemical inhibitors.
Structural and parameter identification of radioactive tracer kinetics
Powerful algorithms for both structural and parameter identification problems in studying radioactive tracer kinetics data were developed. A systematic procedure for handling these problems or any other biomedical problem of similar nature, starting from real patient data, is explained. In this context, two techniques based on the Gaussian quadrature formulas for the estimation of the model parameters are given. Moreover, several methods are given for the determination of the model order, in addition to two techniques that can ascertain the validity of the model. The techniques proposed for parameter estimation utilize irregularly spaced observations available as an output for the radioactive tracer kinetics process. These techniques have the advantages of being fast and reliable if compared to other algorithms based on nonlinear programming
Kinetic parameters and TL mechanism in cadmium tetra borate phosphor
Annalakshmi, O. [Radiological Safety Division, Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Jose, M.T., E-mail: mtj@igcar.gov.in [Radiological Safety Division, Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Sridevi, J. [Central Leather Research Institute, Council of Scientific and Industrial Research, Chennai 600 020, Tamilnadhu (India); Venkatraman, B. [Radiological Safety Division, Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Amarendra, G. [Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Mandal, A.B. [Central Leather Research Institute, Council of Scientific and Industrial Research, Chennai 600 020, Tamilnadhu (India)
2014-03-15
Polycrystalline powder samples of cadmium tetra borate were synthesized by a simple solid state sintering technique and gamma irradiated sample showed a simple Thermoluminescence (TL) glow peak around 460 K. The TL kinetic parameters of gamma irradiated phosphor were determined by initial rise (IR), isothermal decay (ID), peak shape (PS), variable heating rate (VHR) and glow curve de-convolution method. The kinetic parameters such as activation energy (E), frequency factor (s) and order of kinetics (b) were calculated by IR, ID, PS and VHR methods are in the order of ∼1.05 eV, 10{sup 9}–10{sup 12} s{sup −1} and 1.58, respectively. From the results of TL and PL emission studies carried out on the phosphor revealed that the defect centers related to TL is different from that for PL. EPR measurements were carried out to identify the defect centers formed in cadmium tetra borate phosphor on gamma irradiation. Based on EPR studies the mechanism for TL process in cadmium tetra borate is proposed in this paper -- Highlights: • Polycrystalline powder samples of undoped cadmium tetra borate synthesized. • Cadmium tetra borate phosphor exhibits a dosimetric peak at 458 K. • Kinetic parameters of the trap responsible for TL evaluated. • TL mechanism is proposed from TL to EPR correlation studies.
Kinetic parameters and TL mechanism in cadmium tetra borate phosphor
Polycrystalline powder samples of cadmium tetra borate were synthesized by a simple solid state sintering technique and gamma irradiated sample showed a simple Thermoluminescence (TL) glow peak around 460 K. The TL kinetic parameters of gamma irradiated phosphor were determined by initial rise (IR), isothermal decay (ID), peak shape (PS), variable heating rate (VHR) and glow curve de-convolution method. The kinetic parameters such as activation energy (E), frequency factor (s) and order of kinetics (b) were calculated by IR, ID, PS and VHR methods are in the order of ∼1.05 eV, 109–1012 s−1 and 1.58, respectively. From the results of TL and PL emission studies carried out on the phosphor revealed that the defect centers related to TL is different from that for PL. EPR measurements were carried out to identify the defect centers formed in cadmium tetra borate phosphor on gamma irradiation. Based on EPR studies the mechanism for TL process in cadmium tetra borate is proposed in this paper -- Highlights: • Polycrystalline powder samples of undoped cadmium tetra borate synthesized. • Cadmium tetra borate phosphor exhibits a dosimetric peak at 458 K. • Kinetic parameters of the trap responsible for TL evaluated. • TL mechanism is proposed from TL to EPR correlation studies
Alternative definitions of kinetic parameters for accelerator driven systems
Highlights: ► New definition of kinetic parameters for accelerator driven systems. ► Difference between effective and average delayed neutron fraction. ► Difference between effective and average prompt neutron lifetime. ► Effect of the neutron source (Cf, D–D, D–T) on ksrc. ► Effect of the (n, xn) reactions and source energy-angle distribution on ksrc. - Abstract: This study introduces a new formulation of kinetic parameters for accelerator driven systems and it is structured into two parts. The first part is dedicated to the classic definition of the kinetic parameters and compares different calculation methodologies. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and the prompt neutron lifetime. This new definition takes into account neutrons from the external neutron source and (n, xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly located in Belarus. This facility can be driven by californium, deuterium–deuterium (D–D), or deuterium–tritium (D–T) external neutron sources. For the D–T neutron source, (n, xn) reactions must be taken into account in order to produce accurate results because the average energy of D–T source neutrons is 14.1 MeV, a value which is much higher than the threshold energy of the (n, 2n) cross section of uranium isotopes.
Incremental parameter estimation of kinetic metabolic network models
Jia Gengjie
2012-11-01
Full Text Available Abstract Background An efficient and reliable parameter estimation method is essential for the creation of biological models using ordinary differential equation (ODE. Most of the existing estimation methods involve finding the global minimum of data fitting residuals over the entire parameter space simultaneously. Unfortunately, the associated computational requirement often becomes prohibitively high due to the large number of parameters and the lack of complete parameter identifiability (i.e. not all parameters can be uniquely identified. Results In this work, an incremental approach was applied to the parameter estimation of ODE models from concentration time profiles. Particularly, the method was developed to address a commonly encountered circumstance in the modeling of metabolic networks, where the number of metabolic fluxes (reaction rates exceeds that of metabolites (chemical species. Here, the minimization of model residuals was performed over a subset of the parameter space that is associated with the degrees of freedom in the dynamic flux estimation from the concentration time-slopes. The efficacy of this method was demonstrated using two generalized mass action (GMA models, where the method significantly outperformed single-step estimations. In addition, an extension of the estimation method to handle missing data is also presented. Conclusions The proposed incremental estimation method is able to tackle the issue on the lack of complete parameter identifiability and to significantly reduce the computational efforts in estimating model parameters, which will facilitate kinetic modeling of genome-scale cellular metabolism in the future.
Thermoluminescent kinetics parameters of inorganic dust from camomile
Furetta, C.; Cruz Z, E. [ICN-UNAM, A.P. 70-543, 04510 Mexico D.F. (Mexico); Favalli, A. [European Commission, Joint Research Centre, Institute for the Protection and Security of Citizen, TP800, Via E. Fermi 21020, Ispra VA (Italy); Gomez R, J.M. [CIEMAT, Av. Complutense 22, 28040 Madrid (Spain); Kitis, G. [Nuclear Physics Laboratory, University of Thessaloniky (Greece)
2006-07-01
The poly mineral dust extracted from camomile herb was exposed to gamma radiation. The glow curves from these poly minerals show a large, single TL peak, centred at about 440 K. Because the large structure of the glow curves, it seems that the TL signal could be produced by a trap distribution instead of a single level. The thermoluminescent kinetic parameters of the glow curves have been accurately analysed using the Computerized Glow Curve Deconvolution (CGCD) applied at different steps during fading experiment at room temperature (RT). Deconvolution has been performed using a continuous distribution of trapping levels, uniformly distributed, including one additional peak in the high temperature region. This peak has been modelled with second-order kinetics. (Author)
Reactivity and kinetic parameters determination in a multiplicative non-stationary system
A revision of several methods used for solving kinetic equations of a neutronic system is considered. Firstly, kinetic equations in general form are analized, before to revise more important aproximations: point-kinetic method; adiabatic; cuasistatic; eigenvalue equations; nodal, modal and systhesis methods; and variational principles for obtaining kinetic equations. Perturbation theory is used to obtain these parameters, with differents eigenvalue equations representatives of the parameter to be calculated. Also, experimental methods have been included in this work, because of importance the parameters can be measured, and related with those obtained by calculations. Finally, adjoint kinetic equations are resolved to obtain the importance function used in weighted reactivity and kinetic parameters determinations. (author)
ENZYPLOTW: A USEFUL TOOL TO CALCULATE ENZYME KINETIC PARAMETERS
F.A Leone
2006-07-01
Full Text Available Assays of enzyme activity are among the most frequently employed procedures in biochemistry. They are used to estimate the amount of a given enzyme in a cell or tissue, to quantify kinetic parameters or to investigate a catalytic mechanism. The purpose of enzyme kinetics obtained under steady-state conditions is to estimate KM and VM values by fitting initial rate (v and substrate concentration (S values to the Michaelis-Menten equation, permitting a convenient graphical representation and an accurate estimation of KM and VM. However, there is no ideal assay for any particular enzyme and, since the assay of enzyme activity is essentially a kinetic measurement, various pitfalls await the unwary investigator. Despite difficulties consequent to intrinsic enzyme properties, kinetic parameters can be estimated accurately when steady-state conditions (<10% variation in substrate concentration during activity assay and initial rate measurements (catalytic enzyme concentration are guaranteed.EnzyplotW is an application developed for use on any Intel-based computer running Windows 98 or later, and uses a non-linear regression method to fit steady-state kinetic data for Michaelian enzymes. EnzyplotW can be employed not only for educational purposes but also in routine laboratory work, and includes three important features: teaching students how to obtain and recognize sound data for the best estimation of kinetic parameter values; aid the investigator at the bench in gauging the limitations of the various equivalent plots of the Michaelis-Menten equation used to estimate KM and VM; and allow the student to manipulate the mathematical formula of the corresponding plot to comprehend the qualitative and quantitative issues that govern the relationship between substrate
Kinetic parameters of silicon uptake by rice cultivars
Priscila Oliveira Martins
2012-02-01
Full Text Available Silicon is considered an important chemical element for rice, because it can improve tolerance to biotic and abiotic stress. However, in many situations no positive effect of silicon was observed, probably due to genetic factors. The objective of this research was to monitor Si uptake kinetics and identify responses of rice cultivars in terms of Si uptake capacity and use. The experiment was carried out in a greenhouse of the São Paulo State University (UNESP, Brazil. The experiment was arranged in a completely randomized, factorial design with three replications. that consisted of two rice cultivars and two Si levels. Kinetic parameters (Vmax, Km, and Cmin, root morphology variables, dry matter yield, Si accumulation and levels in shoots and roots, uptake efficiency, utilization efficiency, and root/shoot ratio were evaluated. Higher Si concentrations in the nutrient solution did not increase rice dry matter. The development of the low-affinity silicon uptake system of the rice cultivar 'Caiapó' was better than of 'Maravilha'.
Khonde, Ruta Dhanram; Chaurasia, Ashish Subhash
2015-04-01
The present study provides the kinetic model to describe the pyrolysis of sawdust, rice-husk and sugarcane bagasse as biomass. The kinetic scheme used for modelling of primary pyrolysis consisting of the two parallel reactions giving gaseous volatiles and solid char. Estimation of kinetic parameters for pyrolysis process has been carried out for temperature range of 773-1,173 K. As there are serious issues regarding non-convergence of some of the methods or solutions converging to local-optima, the proposed kinetic model is optimized to predict the best values of kinetic parameters for the system using three approaches—Two-dimensional surface fitting non-linear regression technique, MS-Excel Solver Tool and COMSOL software. The model predictions are in agreement with experimental data over a wide range of pyrolysis conditions. The estimated value of kinetic parameters are compared with earlier researchers and found to be matching well.
Generation of a library of two-group diffusion and kinetics parameters for DYN3D
A library of two-group diffusion and kinetics parameters has been generated for the neutron kinetics code DYN3D for analysis of reactivity initiated accidents for the WWER-440 reactors, based on the MAGRU approximation methodology for the diffusion and kinetics parameters. The accuracy of this methodology has been tested and the conclusion is that it is not adequate. A new approximation methodology, based on interpolation for the most widely varying parameters, i.e. the moderator temperature and density, and on approximation for all other independent parameters, is presented. The methodology of calculation of the kinetics parameters using primary data from ENDF-B/VI is described in detail (Authors)
On enzyme kinetic parameters modification of gamma irradiation
To elucidate the molecular mechanisms of gamma-ray action on biomolecules there were investigated the modifications in activity and other kinetic parameters for some enzymes irradiated in pure dry state at relative high doses. There were considered bacterial and fungal α-amylases, glucoamylase and Mucor sp. protease irradiated by a 60 Co gamma-ray source in the dose range 1.0-30.0 kGy, at different dose-rates between 0.5-2.0 kGy/h, at room temperature. Considering the enzyme inactivation in this dose range, the dose-effect relationships have an expected form and depend on the irradiation conditions but not significantly on the dose rate. The catalytic properties of enzymes were modified by irradiation. By usual methods it is evidenced a direct correlation between the enzymatic activities, Michaelis-Menten constant, Km, reaction velocities, v, and the irradiation dose. These experimental findings can support a self-consistent theoretical approach on biophysical radiation action on biological active molecules like enzymes. At the same time, some enzyme behaviour to irradiation could be considered like a good biological indicator of radiation response. (Author) 4 Figs., 19 Refs
Kinetic model identification and parameters estimation from TGA experiments
Reverte, Cédric; Dirion, Jean-Louis; Cabassud, Michel
2007-01-01
The presented work is a part of an ongoing research effort on the development of a general methodology for the determination of kinetic models of solid thermal decomposition under pyrolysis conditions with thermogravimetric analysis (TGA) devices. The goal is to determine a simple and robust kinetic model for a given solid with the minimum of TGA experiments. From the latter point of view, this work can be seen as the optimal design of TGA experiments for pyrolysis kinetic modelling. In this ...
Thermoluminescence kinetic parameters of perovskite-like KMgF3 activated by various ions
This paper reports the results of an investigation on the thermoluminescent (Tl) kinetics parameters of the perovskite KMgF3 activated by Ce, Er and La ions. The kinetics parameters have been determined using the peak shape (PS) methods. Some of the experimental results have been also checked using an acceptance test. (Author)
Thermoluminescence kinetic parameters of perovskite-like KMgF{sub 3} activated by various ions
Furetta, C.; Azorin, J.; Rivera, T. [Dep. de Fisica, Universidad Autonoma Metropolitana-Iztapalapa, 09340 Mexico D.F. (Mexico); Sepulveda, F. [Escuela Superior de Fisica y Matematicas IPN, 07738 Mexico D.F. (Mexico); Gonzalez, P.R. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Delegacion Miguel Hidalgo, 11801 Mex o D.F. (Mexico)
2002-07-01
This paper reports the results of an investigation on the thermoluminescent (Tl) kinetics parameters of the perovskite KMgF{sub 3} activated by Ce, Er and La ions. The kinetics parameters have been determined using the peak shape (PS) methods. Some of the experimental results have been also checked using an acceptance test. (Author)
Calculating the parameters of reactor kinetics with increased accuracy
The procedure of reactor kinetics equation solution with high accuracy and the program realizing this procedure are described. The method is based on approximation of reactor neutron flux density and concentration of nuclei-precursors of delayed neutrons on the final time interval by the polynomial of the 3d type. This approach permits to by-pass multiple limitations of different numerical methods applied before to solve the same problem (restriction in value of a time step due to possibility of stability loss, in condition of completeness of a set of point kinetics equations, in value of the induced error on every time step). Calculations of reactor kinetics for different variants of reactivity representation are carried out
Mechanism and Kinetic Parameters of Thermal Decomposition of Cobalt Dichloride Hexahydrate
无
2000-01-01
The thermal decomposition of the cobalt dichloride hexahydrate and its kinetics were studied by TG and DTG technique under the non-isothermal condition with nitrogen atnosphere.The non-isothermal kinetic data and kinetic parameters were evaluated by means of integral and differential methods.The most probable mechanism functions of the thermal decomposition reaction for the first stage are:f(α)=(1-α)2 and g(α)=(1-α)-1-1.
An Easy Method for Calculating Kinetic Parameters of Electrochemical Mechanisms: Temkin’s Formalism
Vidal-Iglesias, Francisco J.; Solla-Gullón, José; Montiel Leguey, Vicente; Aldaz Riera, Antonio
2015-01-01
One of the typical problems addressed in electrochemical textbooks is how to define the theoretical kinetic law of an electrochemical reaction and how to propose a plausible mechanism for this reaction from its kinetic parameters, usually the Tafel slope and reaction orders.
Parameter Estimates in Differential Equation Models for Chemical Kinetics
Winkel, Brian
2011-01-01
We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data. We estimate the parameters present in several differential equation models of chemical reactions of order n, where n = 0, 1, 2, and apply more general…
Kinetic parameters of transformation of americium and plutonium physicochemical forms have been estimated and the prognosis of fixing and remobilization of these nuclides in podsol soils have been made on that basis in the work. (authors)
刘平乐; 邹丽珊; 罗和安; 王良芥; 郑金华
2004-01-01
A modified genetic algorithm of multiple selection strategies, crossover strategies and adaptive operator is constructed, and it is used to estimate the kinetic parameters in autocatalytic oxidation of cyclohexane. The influences of selection strategy, crossover strategy and mutation strategy on algorithm performance are discussed. This algorithm with a specially designed adaptive operator avoids the problem of local optimum usually associated with using standard genetic algorithm and simplex method. The kinetic parameters obtained from the modified genetic algorithm are credible and the calculation results using these parameters agree well with experimental data. Furthermore, a new kinetic model of cyclohexane autocatalytic oxidation is established and the kinetic parameters are estimated by using the modified genetic algorithm.
k-Cone analysis: determining all candidate values for kinetic parameters on a network scale.
Famili, Iman; Mahadevan, Radhakrishnan; Palsson, Bernhard O
2005-03-01
The absence of comprehensive measured kinetic values and the observed inconsistency in the available in vitro kinetic data has hindered the formulation of network-scale kinetic models of biochemical reaction networks. To meet this challenge we present an approach to construct a convex space, termed the k-cone, which contains all the allowable numerical values of the kinetic constants in large-scale biochemical networks. The definition of the k-cone relies on the incorporation of in vivo concentration data and a simplified approach to represent enzyme kinetics within an established constraint-based modeling approach. The k-cone approach was implemented to define the allowable combination of numerical values for a full kinetic model of human red blood cell metabolism and to study its correlated kinetic parameters. The k-cone approach can be used to determine consistency between in vitro measured kinetic values and in vivo concentration and flux measurements when used in a network-scale kinetic model. k-Cone analysis was successful in determining whether in vitro measured kinetic values used in the reconstruction of a kinetic-based model of Saccharomyces cerevisiae central metabolism could reproduce in vivo measurements. Further, the k-cone can be used to determine which numerical values of in vitro measured parameters are required to be changed in a kinetic model if in vivo measured values are not reproduced. k-Cone analysis could identify what minimum number of in vitro determined kinetic parameters needed to be adjusted in the S. cerevisiae model to be consistent with the in vivo data. Applying the k-cone analysis a priori to kinetic model development may reduce the time and effort involved in model building and parameter adjustment. With the recent developments in high-throughput profiling of metabolite concentrations at a whole-cell scale and advances in metabolomics technologies, the k-cone approach presented here may hold the promise for kinetic
Determining the Kinetic Parameters Characteristic of Microalgal Growth.
Martinez Sancho, Maria Eugenie; And Others
1991-01-01
An activity in which students obtain a growth curve for algae, identify the exponential and linear growth phases, and calculate the parameters which characterize both phases is described. The procedure, a list of required materials, experimental conditions, analytical technique, and a discussion of the interpretations of individual results are…
Preparation of bilinear weighted kinetics parameters for WWER-440 reactivity measurement
A practical procedure for the computation of bilinear weighted core kinetics parameters of WWER-440 reactors, intended to be used in experimental reactivity determination by the inverse kinetics method is described. The results from its application are benchmarked against those obtained on the basis of a many-group fine-mesh two dimensional solution of the core boundary problem The sensitivity of core kinetics parameters and of the resultant experimental reactivity values to the variation of primary delayed neutron data is evaluated. The AER kinetics parameters benchmark is solved and the results are commented. Statistical data about calculated and measured reactivity effects during the start-up tests of units 1-4 of the Kozloduy NPP presented and discussed (Authors)
Measurement of kinetic parameters of human platelet DNA polymerase gamma.
Taanman, Jan-Willem; Heiske, Margit; Letellier, Thierry
2010-08-01
Synthesis of mitochondrial DNA is performed by DNA polymerase gamma. Mutations in POLG, the gene encoding the catalytic subunit of DNA polymerase gamma, are a major cause of neurological disease. A large proportion of patients carry rare nucleotide substitutions leading to single amino acid changes. Confirming that these replacements are pathogenic can be problematic without biochemical evidence. Here, we provide a hands-on protocol for an in vitro kinetic assay of DNA polymerase gamma which allows assessment of the K(m) and V(max) for the incoming nucleotide of the polymerization reaction. To avoid measurement of contaminating nuclear DNA polymerases, platelet extracts are used since platelets do not contain a nucleus. Moreover, platelets have the advantage of being obtainable relatively non-invasively. Polymerization activity is determined by measurement of the incorporation of radioactive thymidine 5'-triphosphate (dTTP) on the homopolymeric RNA substrate poly(rA).oligo(dT)(12-18). To further minimize nuclear DNA polymerase activity, aphidicolin, an inhibitor of most nuclear DNA polymerases, is included in the reaction. In addition, reactions are carried out in the absence and presence of the competitive inhibitor of DNA polymerase gamma, 2',3'-dideoxythymidine 5'-triphosphate (ddTTP), to allow calculation of the ddTTP-sensitive incorporation. With this method, platelets from healthy control subjects extracted with 3% Triton X-100 showed a K(m) for dTTP of 1.42 microM and a V(max) of 0.83 pmol min(-1)mg(-1). PMID:20227504
Investigation of transfer parameters from the radiochromium on erythrocyte kinetic
This study analyzes and interprets results of destruction and survival data from 51Cr labeled red cells to the more common and realistic situations for diagnostic applications in clinical and nuclear hematology. The destructive process and the deviation of the cell system from the equilibrium state can be conveniently studied in terms of the disappearance rate of labeled red blood cells, using some transfer parameters. The investigation was concentrated on selection and study of a mathematical model to describe significantly the elimination process and to improve and simplify the computational analysis of data in chromium erythrokinetics from patients and normal individuals for control. (author)
Adjoint Weighted Kinetics Parameter Estimation in the Monte Carlo Wielandt Calculations
Choi, Sung Hoon; Shim, Hyung Jin [Seoul National Univ., Seoul (Korea, Republic of)
2013-10-15
In order to eliminate this huge memory consumption in the current adjoint estimation method, we have developed a new method in which the pedigree of a single history is utilized by applying the MC Wielandt method. The Wielandt method allows the estimations of the adjoint flux and adjoint-weighted parameters within a single cycle neutron simulations. The effectiveness of the new method is demonstrated in the kinetics parameter estimations for an infinite homogeneous two-group problem and the Godiva facility. We have developed an efficient algorithm for the adjoint-weighted kinetics parameter estimation in the MC Wielandt calculations which can significantly reduce the memory usage. From the numerical applications, it is demonstrated that the new method can predict the kinetics parameters with great accuracy.
Kumar, B Shiva; Venkateswarlu, Ch
2014-08-01
The complex nature of biological reactions in biofilm reactors often poses difficulties in analyzing such reactors experimentally. Mathematical models could be very useful for their design and analysis. However, application of biofilm reactor models to practical problems proves somewhat ineffective due to the lack of knowledge of accurate kinetic models and uncertainty in model parameters. In this work, we propose an inverse modeling approach based on tabu search (TS) to estimate the parameters of kinetic and film thickness models. TS is used to estimate these parameters as a consequence of the validation of the mathematical models of the process with the aid of measured data obtained from an experimental fixed-bed anaerobic biofilm reactor involving the treatment of pharmaceutical industry wastewater. The results evaluated for different modeling configurations of varying degrees of complexity illustrate the effectiveness of TS for accurate estimation of kinetic and film thickness model parameters of the biofilm process. The results show that the two-dimensional mathematical model with Edward kinetics (with its optimum parameters as mu(max)rho(s)/Y = 24.57, Ks = 1.352 and Ki = 102.36) and three-parameter film thickness expression (with its estimated parameters as a = 0.289 x 10(-5), b = 1.55 x 10(-4) and c = 15.2 x 10(-6)) better describes the biofilm reactor treating the industry wastewater. PMID:25306783
Correlations of kinetic parameters in biomass pyrolysis with solid residue yield and lignin content
Hashimoto, Kenji; Hasegawa, Isao; Hayashi, Junichi; Mae, Kazuhiro
2011-01-01
A kinetic analysis of the pyrolysis of various types of biomass (trunk, bark, leaf, shell, herbage, food dregs, and polysaccharide) as well as synthetic biomass consisting of cellulose and lignin was performed using thermogravimetric analysis data. The reaction rates of biomass pyrolysis were found to be expressed simply by a single nth-order reaction model. The kinetic parameters (frequency factor k0, activation energy E, and reaction order n) were estimated first by differentiating the ther...
Reaction Kinetic Parameters and Surface Thermodynamic Properties of Cu2O Nanocubes
Xingxing Li
2015-07-01
Full Text Available Cuprous oxide (Cu2O nanocubes were synthesized by reducing Cu(OH2 in the presence of sodium citrate at room temperature. The samples were characterized in detail by field-emission scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy, X-ray powder diffraction, and N2 absorption (BET specific surface area. The equations for acquiring reaction kinetic parameters and surface thermodynamic properties of Cu2O nanocubes were deduced by establishment of the relations between thermodynamic functions of Cu2O nanocubes and these of the bulk Cu2O. Combined with thermochemical cycle, transition state theory, basic theory of chemical thermodynamics, and in situ microcalorimetry, reaction kinetic parameters, specific surface enthalpy, specific surface Gibbs free energy, and specific surface entropy of Cu2O nanocubes were successfully determined. We also introduced a universal route for gaining reaction kinetic parameters and surface thermodynamic properties of nanomaterials.
Method of tallying adjoint fluence and calculating kinetics parameters in Monte Carlo codes
A method of using iterated fission probability to estimate the adjoint fluence during particles simulation, and using it as the weighting function to calculate kinetics parameters βeff and A in Monte Carlo codes, was introduced in this paper. Implements of this method in continuous energy Monte Carlo code MCNP and multi-group Monte Carlo code MCMG are both elaborated. Verification results show that, with regardless additional computing cost, using this method, the adjoint fluence accounted by MCMG matches well with the result computed by ANISN, and the kinetics parameters calculated by MCNP agree very well with benchmarks. This method is proved to be reliable, and the function of calculating kinetics parameters in Monte Carlo codes is carried out effectively, which could be the basement for Monte Carlo codes' utility in the analysis of nuclear reactors' transient behavior. (authors)
Fuzzy Stochastic Petri Nets for Modeling Biological Systems with Uncertain Kinetic Parameters.
Liu, Fei; Heiner, Monika; Yang, Ming
2016-01-01
Stochastic Petri nets (SPNs) have been widely used to model randomness which is an inherent feature of biological systems. However, for many biological systems, some kinetic parameters may be uncertain due to incomplete, vague or missing kinetic data (often called fuzzy uncertainty), or naturally vary, e.g., between different individuals, experimental conditions, etc. (often called variability), which has prevented a wider application of SPNs that require accurate parameters. Considering the strength of fuzzy sets to deal with uncertain information, we apply a specific type of stochastic Petri nets, fuzzy stochastic Petri nets (FSPNs), to model and analyze biological systems with uncertain kinetic parameters. FSPNs combine SPNs and fuzzy sets, thereby taking into account both randomness and fuzziness of biological systems. For a biological system, SPNs model the randomness, while fuzzy sets model kinetic parameters with fuzzy uncertainty or variability by associating each parameter with a fuzzy number instead of a crisp real value. We introduce a simulation-based analysis method for FSPNs to explore the uncertainties of outputs resulting from the uncertainties associated with input parameters, which works equally well for bounded and unbounded models. We illustrate our approach using a yeast polarization model having an infinite state space, which shows the appropriateness of FSPNs in combination with simulation-based analysis for modeling and analyzing biological systems with uncertain information. PMID:26910830
EQUILIBRIUM AND KINETIC PARAMETERS FOR THE SEDIMENTATION OF TARTARIC SALTS IN YOUNG WINES
Ecaterina Covaci
2015-06-01
Full Text Available In young wines potassium hydrogen tartrate is always present in supersaturating concentration and crystallizes spontaneously. The aim of this study is to obtain kinetic parameters, which explain the stability of young wines during the stabilization treatments. The kinetic and equilibrium parameters were evaluated and discussed. The heating factor has a decisive influence on the reaction rate of potassium hydrogen tartrate precipitation in young wines. An increase of temperature leads to a decrease in efficiency of stabilization process and to an enhancement of the activation energy of the system. According to the obtained experimental results, the optimal regime for production and stabilization of young wines has been established.
Kinetics parameter measurements on RSG-GAS, a low-enriched fuel reactor
Kinetics parameter measurements, such as reactivity worths of control rods and fuel elements, beam tube void reactivity, power reactivity coefficient and xenon poisoning reactivity have been performed on different cores of Reaktor Serba Guna G.A. Siwabessy (RSG-GAS). In parallel, a programme was also initiated to measure the other kinetics parameters like effective delayed neutron life time, prompt neutron decay constant, validation of period reactivity relationship and zero power frequency response function. The paper provides the results of these measurements. (author)
Kinetics parameters of a slurry remediation process in rotating drum bioreactors
Esquivel-Rios, I.; Rodriguez-Meza, M. A.; Barrera-Cortes, J.
2009-07-01
The knowledge of biotransformation pollution dynamics in any systems is important for design and optimization purposes of biochemical processes involved. this is focus to the determination of kinetics parameters such as the maximum specific growth rate ({mu}MAX), saturation constant (Ks), biomass yield (YX/S; X: biomass, S: substrate) and oxygen consumption (YO{sub 2}/S; O{sub 2}: oxygen). Several approximations, based on Monod equation, have been developed for estimating kinetics parameters in terms of concentration and type of substrate, bioprocess type and microflora available. (Author)
Haozhong HUANG; Wanhua SU
2008-01-01
The micro-genetic algorithm (μGA) as a highly effective optimization method, is applied to calibrate to a newly developed reduced chemical kinetic model (40 species and 62 reactions) for the homogeneous charge compression ignition (HCCI) combustion of n-heptane to improve its autoignition predictions for different engine operating conditions. The seven kinetic parameters of the calibrated model are determined using a combination of the Micro-Genetic Algorithm and the SENKIN program of CHEMKIN chemical kinetics software package. Simulation results show that the autoignition predictions of the calibrated model agree better with those of the detailed chemical kinetic model (544 species and 2 446 reactions) than the original model over the range of equivalence ratios from 0.1-1.3 and temperature from 300-3 000 K. The results of this study have demonstrated that the μGA is an effective tool to facilitate the calibration of a large number of kinetic parameters in a reduced kinetic model.
Study of the Kinetics parameters in LiF: Mg, Cu, P
This report contains a collection of data on the kinetics parameters of the main thermoluminiscent peaks in LiF:Mg,Cu,P. These data have been obtained using different experimental and numerical methods including initial rise, peak shape, araea measurement, glow curve, deconvolution and isothermal decay methods. From this study it can be deduced that the main peaks in the LiF:Mg,Cu,P glow curve obey first order kinetics, only the residual high temperature peaks 5th and 6th seem to follow higher kinetics order. The agreement among the different methods for the activation energy, frequency factor and kinetics order values for the different peaks is fairly good. (Author)
Evaluation of Anaerobic Biofilm Reactor Kinetic Parameters Using Ant Colony Optimization.
Satya, Eswari Jujjavarapu; Venkateswarlu, Chimmiri
2013-09-01
Fixed bed reactors with naturally attached biofilms are increasingly used for anaerobic treatment of industry wastewaters due their effective treatment performance. The complex nature of biological reactions in biofilm processes often poses difficulty in analyzing them experimentally, and mathematical models could be very useful for their design and analysis. However, effective application of biofilm reactor models to practical problems suffers due to the lack of knowledge of accurate kinetic models and uncertainty in model parameters. In this work, an inverse modeling approach based on ant colony optimization is proposed and applied to estimate the kinetic and film thickness model parameters of wastewater treatment process in an anaerobic fixed bed biofilm reactor. Experimental data of pharmaceutical industry wastewater treatment process are used to determine the model parameters as a consequence of the solution of the rigorous mathematical models of the process. Results were evaluated for different modeling configurations derived from the combination of mathematical models, kinetic expressions, and optimization algorithms. Analysis of results showed that the two-dimensional mathematical model with Haldane kinetics better represents the pharmaceutical wastewater treatment in the biofilm reactor. The mathematical and kinetic modeling of this work forms a useful basis for the design and optimization of industry wastewater treating biofilm reactors. PMID:24065871
Gomez, M Victoria; Rodriguez, Antonio M; de la Hoz, Antonio; Jimenez-Marquez, Francisco; Fratila, Raluca M; Barneveld, Peter A; Velders, Aldrik H
2015-10-20
Conventional methods to determine the kinetic parameters for a certain reaction require multiple, separate isothermal experiments, resulting in time- and material-consuming processes. Here, an approach to determine the kinetic information within a single nonisothermal on-flow experiment is presented, consuming less than 10 μmol of reagents and having a total measuring time of typically 10 min. This approach makes use of a microfluidic NMR chip hyphenated to a continuous-flow microreactor and is based on the capabilities of the NMR chip to analyze subnanomole quantities of material in the 25 nL detection volume. Importantly, useful data are acquired from the microreactor platform in specific isothermal and nonisothermal frames. A model fitting the experimental data enables rapid determination of kinetic parameters, as demonstrated for a library of isoxazole and pyrazole derivatives. PMID:26383715
Estimation of Adjoint-Weighted Kinetics Parameters in Monte Carlo Wieland Calculations
The effective delayed neutron fraction, βeff, and the prompt neutron generation time, Λ, in the point kinetics equation are weighted by the adjoint flux to improve the accuracy of the reactivity estimate. Recently the Monte Carlo (MC) kinetics parameter estimation methods by using the self-consistent adjoint flux calculated in the MC forward simulations have been developed and successfully applied for the research reactor analyses. However these adjoint estimation methods based on the cycle-by-cycle genealogical table require a huge memory size to store the pedigree hierarchy. In this paper, we present a new adjoint estimation in which the pedigree of a single history is utilized by applying the MC Wielandt method. The effectiveness of the new method is demonstrated in the kinetics parameter estimations for infinite homogeneous two-group problems and the Godiva critical facility
Estimation of Adjoint-Weighted Kinetics Parameters in Monte Carlo Wieland Calculations
Choi, Sung Hoon; Shim, Hyung Jin [Seoul National Univ., Seoul (Korea, Republic of)
2013-07-01
The effective delayed neutron fraction, β{sub eff}, and the prompt neutron generation time, Λ, in the point kinetics equation are weighted by the adjoint flux to improve the accuracy of the reactivity estimate. Recently the Monte Carlo (MC) kinetics parameter estimation methods by using the self-consistent adjoint flux calculated in the MC forward simulations have been developed and successfully applied for the research reactor analyses. However these adjoint estimation methods based on the cycle-by-cycle genealogical table require a huge memory size to store the pedigree hierarchy. In this paper, we present a new adjoint estimation in which the pedigree of a single history is utilized by applying the MC Wielandt method. The effectiveness of the new method is demonstrated in the kinetics parameter estimations for infinite homogeneous two-group problems and the Godiva critical facility.
Highlights: • We present a Monte Carlo method for computing the adjoint-weighted kinetics parameters via the IFP algorithm. • Extensive verification tests are performed on simple models. • Several validation tests are performed on the measured values of effective delayed neutron fraction and Rossi alpha. - Abstract: The analysis of neutron kinetics relies on the knowledge of adjoint-weighted kinetics parameters, which are key to safety issues in the context of transient or accidental reactor behavior. The Iterated Fission Probability (IFP) method allows the adjoint-weighted mean generation time and delayed neutron fraction to be computed within a Monte Carlo power iteration calculation. In this work we describe the specific features of the implementation of the IFP algorithm in the reference Monte Carlo code TRIPOLI-4® developed at CEA. Several verification and validation tests are discussed, and the impact of nuclear data libraries, IFP cycle length and inter-cycle correlations are analyzed in detail
The effective delayed neutron fraction, βeff, and the prompt neutron generation time, Λ, in the point kinetics equation are weighted by the adjoint flux to improve the accuracy of the reactivity estimate. Recently the Monte Carlo (MC) kinetics parameter estimation methods by using the adjoint flux calculated in the MC forward simulations have been developed and successfully applied for reactor analyses. However these adjoint estimation methods based on the cycle-by-cycle genealogical table require a huge memory size to store the pedigree hierarchy. In this paper, we present a new adjoint estimation method in which the pedigree of a single history is utilized by applying the MC Wielandt method. The algorithm of the new method is derived and its effectiveness is demonstrated in the kinetics parameter estimations for infinite homogeneous two-group problems and critical facilities. (author)
MCNP5 study on kinetics parameters of coupled fast-thermal system HERBE
Pešić Milan P.
2011-01-01
Full Text Available New validation of the well-known Monte Carlo code MCNP5 against measured criticality and kinetics data for the coupled fast-thermal HERBE System at the Reactor B critical assembly is shown in this paper. Results of earlier calculations of these criticality and kinetics parameters, done by combination of transport and diffusion codes using two-dimension geometry model are compared to results of new calculations carried out by the MCNP5 code in three-dimension geometry. Satisfactory agreements in comparison of new results with experimental data, in spite complex heterogeneous composition of the HERBE core, are achieved confirming that MCNP5 code could apply successfully to study on HERBE kinetics parameters after uncertainties in impurities in material compositions and positions of fuel elements in fast zone were removed.
Kinetic parameters of nitrous oxide production and reduction during denitrification in pasture soils
Čuhel, Jiří; Šimek, Miloslav
Braunschweig : Bba - Federal Biological Research Centre for Agriculture and Forestry, 2007. s. 160. [Symposium on Bacterial Genetics and Ecology. BAGECO 9. Microbial Community Networks /9./. 23.06.2007-27.06.2007, Wernigerode] Institutional research plan: CEZ:AV0Z60660521 Keywords : kinetic parameters * nitrous oxide production * denitrification in pasture soils Subject RIV: EH - Ecology, Behaviour
Hardee, John R.; Delgado, Bryan; Jones, Wray
2011-01-01
The kinetic parameters for the conversion of alpha-D-glucose to beta-D-glucose were measured using a blood glucometer. The reaction order, rate constant, and Arrhenius activation energy are reported for the noncatalyzed reaction and turnover number and Michaelis constant are reported for the reaction catalyzed by porcine kidney mutarotase. The…
Kinetic Parameters Estimation in a MTR Research and Production Reactor in Subcritical States
Subcritical measurements were performed for the first time at the RA-3 research and production reactor in order to obtain relevant kinetic parameters for the safe operation of the reactor. Measurements were made during the shut-down period in presence of high background gamma radiation (greater than 106 R/h) and xenon. At each stationary subcritical state, the neutron source was assumed to come from photoneutron precursors produced during the normal operation of the reactor. Kinetic parameters were estimated using both neutron noise and inverse kinetics techniques. It was possible to estimate the photoneutron effectiveness of the RA-3 reactor, giving a value of (1.11 ± 0.05) 10-4. Using the least squares inverse kinetics method the neutron source strength was estimated and then used in the inverse kinetics equation in order to get the reactivity evolution during the change of core configuration of the reactor. The study of the obtained experimental values shows the existence of spatial effects in the reactivity estimation, which were confirmed by numerical simulations carried out with the diffusive neutron code PUMA. (author)
Highlights: ► Indoor pollution control via photocatalytic reactors. ► Scaling-up methodology based on previously determined mechanistic kinetics. ► Radiation interchange model between catalytic walls using configuration factors. ► Modeling and experimental validation of a complex geometry photocatalytic reactor. - Abstract: A methodology for modeling photocatalytic reactors for their application in indoor air pollution control is carried out. The methodology implies, firstly, the determination of intrinsic reaction kinetics for the removal of formaldehyde. This is achieved by means of a simple geometry, continuous reactor operating under kinetic control regime and steady state. The kinetic parameters were estimated from experimental data by means of a nonlinear optimization algorithm. The second step was the application of the obtained kinetic parameters to a very different photoreactor configuration. In this case, the reactor is a corrugated wall type using nanosize TiO2 as catalyst irradiated by UV lamps that provided a spatially uniform radiation field. The radiative transfer within the reactor was modeled through a superficial emission model for the lamps, the ray tracing method and the computation of view factors. The velocity and concentration fields were evaluated by means of a commercial CFD tool (Fluent 12) where the radiation model was introduced externally. The results of the model were compared experimentally in a corrugated wall, bench scale reactor constructed in the laboratory. The overall pollutant conversion showed good agreement between model predictions and experiments, with a root mean square error less than 4%.
Parameter analysis of the neutron point kinetics equations with feedback temperature effects
Highlights: • Mathematical models describing the point reactor kinetics equations of Nuclear Power Plants. • Block diagram model for kinetic equations solution using VisSim environment. • Comparison between both analytical and numerical solutions. • Neutron flux density and reactor reactivity are analyzed. • Efficient control is performed for Nuclear Power Plants. - Abstract: The paper presents a solution technique for modeling point nuclear kinetic equations based on one group of delayed neutrons and temperature feedback. Explicit and implicit solutions for point kinetic equations are used for this purpose. Analytical treatment is conducted. Mathematical models describing neutron density and reactor reactivity are deduced. Also, Matlab Simulink and VisSim environments are used to achieve the implicit solution. Using of graphical user interface allows a quick experimentation with alternative values of performance parameters such as initial reactivity, initial neutron flux density, temperature coefficient of reactivity and reciprocal of thermal capacity of reactor. Moreover, implicit solutions of dynamic equations governing point nuclear kinetic equations provide exact handling of the device performance. Proposed mathematical models and block diagram simulation results are validated against published work and full agreements are obtained. Several performance parameters are tuned to enhance the performance of these point nuclear kinetic equations through the presented methodology. The resultant performance characteristics and comparison among investigated models are presented in this work. The obtained results confirm that the implicit solution showed less accurate representation of the studied point nuclear kinetic equations compared to mathematical models. Furthermore, the effect of control rod on the neutron flux density was discussed
Karuppusamy, S.; Dinesh Babu, K.; Nirmal Kumar, V.; Gopalakrishnan, R.
2016-05-01
The bulk acenaphthene crystal was grown in a single-wall ampoule by vertical Bridgman technique. X-ray diffraction analysis confirmed the orthorhombic crystal system of title compound with space group Pcm21. Thermal behavior of compound was studied using thermogravimetry—differential scanning calorimetry analysis. Thermal kinetic parameters like activation energy, frequency factor, Avrami exponent, reaction rate and degree of conversion were calculated using Kissingers and Ozawa methods under non-isothermal condition for acenaphthene crystal and reported for the first time. The calculated thermal kinetic parameters are presented. Dielectric studies were performed to calculate the dielectric parameters such as dielectric constant, dielectric loss, AC conductivity, and activation energy from Arrhenius plot.
Effect of temperature on kinetic parameters of decomposition reaction of calcium carbonate
CHEN Hongwei; CHEN Jiangtao; WEI Riguang; SUO Xinliang
2013-01-01
In order to investigate the influence of temperature on behavior of calcium carbonate decomposition,especially on kinetic parameters of the decomposition reaction,the analytically pure calcium carbonate was calcined on a self-built large dose thermogravimetric analyzer.The results indicated that,with an increase in the reaction temperature,the reactivity index of calcium carbonate decomposition increased at stage state while the kinetic parameters decreased at stage state.Moreover,both the reaction indices and the kinetic parameters can be divided into three stages and the temperature turning points in different stages were the same.The phase boundary reaction (cylindrical symmetry) theory was more suitable for calcium carbonate calcination under N2 atmosphere.The change trend of the logarithm of reaction activation with temperature was similar as that of the pre-exponential factor.There existed good liner relationship and kinetic compensation effect between them.The isokinetic temperature of the CaCO3 calcination was 842 ℃ and the reaction rate constant was 0.104 9 min-1 derived by the compensation coefficients.
Thermoluminescence kinetic parameters of different amount La-doped ZnB2O4
The kinetic parameters of 1%, 2%, 3% and 4% La-doped ZnB2O4 phosphors (i.e. ZnB2O4:0.01La, ZnB2O4:0.02La, ZnB2O4:0.03La and ZnB2O4:0.04La) synthesized by nitric acid method have been calculated. Thermoluminescence (TL) glow curves of ZnB2O4:La phosphors after beta-irradiation showed a very well defined main peak having the maximum temperature at around 200 °C and a shoulder peak at around 315 °C with a constant heating rate of 5 °C/s. The kinetic parameters of ZnB2O4:La phosphors TL glow peaks (i.e. order of kinetics (b), activation energies (Ea) and frequency factors (s)) have been determined and evaluated by Computerized Glow Curve Deconvolution (CGCD), and Peak Shape (PS) methods using the glow curve data. From the results, it can conclude that the values of Ea obtained with these methods for ZnB2O4:La phosphors are consistent with each other, but the s values differ considerably. - Highlights: • Calculation of TL kinetic parameters for La-doped ZnB2O4. • La-doped ZnB2O4 was synthesized by nitric acid method. • Well defined main peak at about 200 °C
We have developed a new process to quantify the dissociation kinetics of iron-boron (FeB) pairs in Czochralski silicon. It is based on determining the characteristic parameters for the association kinetics of FeB pairs by low-temperature thermal activation experiments. The dissociation rates can then be derived from the equilibrium concentration and association rates of FeB pairs at elevated temperatures. Our results show an activation energy of 1.20 eV and an attempt frequency of 9 x 1012 s-1 for FeB dissociation.
This paper reports on the influence of calcining temperature (800 and 1000 deg. C) on the pozzolanic activation of sugar cane straw (SCS). The reaction kinetics of SCS ash-lime mixtures were inferred from physicochemical characteristics (X-ray diffraction patterns and thermogravimetry analysis. The fitting of a kinetic-diffusive model to the experimental data (fixed lime versus time) allowed the computing of the kinetic parameters (reaction rate constant) of the pozzolanic reaction. Results obtained confirm that the sugar cane straw ash (SCSA) calcined at 800 and 1000 deg. C have properties indicative of very high pozzolanic activity. No influence of calcining temperature on the pozzolanic activity was observed. Also, no crystalline compounds during the pozzolanic reaction were identified up to 90 days of reaction. Environmental durability and strength of the consequential mortars remain to be assessed
Parameter estimation for whole-body kinetic model of FDG metabolism
CUI Yunfeng; BAI Jing; CHEN Yingmao; TIAN Jiahe
2006-01-01
Based on the radioactive tracer [18F]2-fluoro-2-deoxy-D-glucose (FDG), positron emission tomography (PET), and compartment model, the tracer kinetic study has become an important method to investigate the glucose metabolic kinetics in human body.In this work, the kinetic parameters of three-compartment and four-parameter model for the FDG metabolism in the tissues of myocardium, lung, liver, stomach, spleen, pancreas, and marrow were estimated through some dynamic FDG-PET experiments. Together with published brain and skeletal muscle parameters, a relatively complete whole-body model was presented. In the liver model, the dual blood supply from the hepatic artery and the portal vein to the liver was considered for parameter estimation, and the more accurate results were obtained using the dual-input rather than the single arterial-input. The established whole-body model provides the functional information of FDG metabolism in human body. It can be used to further investigate the glucose metabolism, and also be used for the simulation and visualization of FDG metabolic process in human body.
Kinetic parameter calculation as function of burn-up of candu reactor
Kinetic parameter calculation as function of burn-up of candu reactor. Kinetic marameter calculation as function of burp-up of CANDU reactor with Canflex fuel type-CANDU has been done. This type of fuel is currently being develop, so kinetic parameter such as effective delay neutron fraction (.......), delay neutron decay constant ( .... ) and prompt neutron generation time ( ...... ) are very important for analysis of reactor operation safety. WIMS-CRNL code was used to generate macroscopic cross section and reaction rate based on transport theory. Fast and thermal neutron velocity and macroscopic cross section fission product of the unit cell were determined by KINETIC Code. The result of calculation showed that the value of effective delay neutron fraction was 7,785616 x 10-3 at the beginning of operation at burn-up of 0 MWD/T and after the reactor operated at burn-up of 7,2231 x 10-3 MWD/T was 4,962766 x 10-3, or reduced by 36%. The value of prompt generation time was 9,982703 x 10-4 s at the beginning of operation at burn-up of 0 MWD/T and 8,965416 x 10-4 s after the reactor operated at burn-up of 7,2231 x 103 MWD/T, or reduced by 10%. The result of calculation showed that the values of effective delay neutron fraction and prompt neutron generation time are still great enough
Niu, Sheng-Li; Huo, Meng-Jia; Lu, Chun-Mei; Liu, Meng-Qi; Li, Hui
2014-04-01
The catalytic capacity of dolomite in transesterification was investigated and the kinetic parameters were calculated. The activated dolomites as transesterification catalyst were characterized by X-ray diffraction, nitrogen adsorption and desorption and Hammett indicator method, where the original dolomite was analyzed by thermogravimetric and X-ray fluorescence in advance. Its potential catalytic capacity was validated from aspects of the activated temperature and the reused property, where the reliability of the experimental system was also examined. Then, influences of the catalyst added amount, the mole ratio of methanol to oil, the transesterification temperature and the transesterification time on the catalytic capacity were investigated. Finally, kinetic parameters of the transesterification catalyzed by the activated dolomite were calculated. PMID:24583217
Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.
2016-04-01
Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.
Kinetic parameters evaluation of PWRs using static cell and core calculation codes
Highlights: ► In this study, we have calculated effective delayed neutron fraction and prompt neutron lifetime in PWRs. ► New software has been developed to link the WIMS, BORGES and CITATION codes in Visual C computer programming language. ► This software is used for calculation of the kinetic parameters in a typical VVER-1000 and NOK Beznau reactor. ► The ratios ((βeff)i)/((βeff)core) , which are the important input data for the reactivity accident analysis, are also calculated. - Abstract: In this paper, evaluation of the kinetic parameters (effective delayed neutron fraction and prompt neutron lifetime) in PWRs, using static cell and core calculation codes, is reported. A new software has been developed to link the WIMS, BORGES and CITATION codes in Visual C computer programming language. Using the WIMS cell calculation code, multigroup microscopic cross-sections and number densities of different materials can be generated in a binary file. By the use of BORGES code, these binary-form cross-sections and number densities are converted to a format readable by the CITATION core calculation code, by which the kinetic parameters can be finally obtained. This software is used for calculation of the kinetic parameters in a typical VVER-1000 and NOK Beznau reactor. The ratios ((βeff)i)/((βeff)core) , which are the important input data for the reactivity accident analysis, are also calculated. Benchmarking of the results against the final safety analysis report (FSAR) of the aforementioned reactors shows very good agreements with these published documents.
Prediction of radiation inactivation of presonicated a-amylase in terms of kinetic parameters
Full text: In-vitro radiation inactivation of enzyme amylase denies display of optimum enzyme function owing to alterations in active site. Certain extent of enzyme activity seems to be protected in case of radiation inactivated enzyme, prior-exposed to ultrasonic frequencies. The present investigation, exploring trends of changes in kinetic parameters and its dependence on ultrasonic frequencies and gamma doses, will be discussed to highlight the functional status of active site under situation
Kinetic parameters of soil β-glucosidase response to environmental temperature and moisture regimes
Yulan Zhang; Lijun Chen; Zhijie Wu; Caixia Sun
2011-01-01
Soil β-glucosidase participates in the final step of cellulose biodegradation. It is significant in the soil C cycle and is used as an indicator of the biological fertility of soil. However, the response of its kinetic parameters to environmental temperature and moisture regimes is not well understood. This study tested the β-glucosidase response in the main agricultural soils (black soil, albic soil, brown soil, and cinnamon soil) of Northeast China. Incubation tests were conducted to measur...
This report describes the calculational methods which were employed to determine the temperature coefficients and the kinetic parameters for the safety analysis in the HTTR (High Temperature Engineering Test Reactor). The temperature coefficients (doppler, moderator temperature) and the kinetic parameters (prompt neutron life time; l, effective delayed neutron fraction; β eff) are important for the point model core dynamic analysis and should be evaluated properly. The temperature coefficients were calculated by the whole core model. Doppler coefficient was evaluated under the conditions of all control rods withdrawn and the uniform change of fuel temperature. The minimum and the maximum value of the evaluated doppler coefficients in a burnup cycle are -4.6x10-5 and -1.5x10-5 ΔK/K/deg. C respectively. The moderator temperature coefficient was evaluated under the conditions of all control rods withdrawn and the uniform change of moderator temperature. The minimum and the maximum value of the evaluated moderator temperature coefficients in a burnup cycle are -17.1x10-5 and 0.99x10-5ΔK/K/deg. C respectively. In spite of positive moderator temperature coefficient, the power coefficient is always negative. Therefore the HTTR possesses inherent power-suppressing feed back characteristic in all operating condition. We surveyed the effects of the Xe existence, the control rods existence, the fuel temperature and the region in which the temperature was changed on the moderator temperature coefficients. The kinetic parameters were calculated by the perturbation method with the whole core model. The minimum and the maximum value of the evaluated effective delayed neutron fraction (β eff) are 0.0047 and 0.0065 respectively. These of the evaluated prompt neutron life time (l) are 0.67 and 0.78 ms respectively. We have surveyed the effects of the fuel depletion and the core power level on these parameters, and considered these effects on the kinetic parameters. From above
Thermoluminescent kinetic parameters of the perovskite, KMgF3, activated with lanthanum
The thermoluminescent curves induced by the beta radiation in the perovskite KMgF3 were investigated activated with lanthanum. The classic methods were used to determine the kinetic parameters (the kinetic order b, the activation energy E and the frequency of escape intent s) associated with the peaks of the thermoluminescent curve (Tl) in the KMgF3 activated with lanthanum after the irradiation with beta rays. The method is based on the position of the thermoluminescent peaks, obtained of the temperature change of the peak in the maximum emission caused by the change in the heating rapidity to which the samples were measured. In this work, the samples in form of pellets were re cooked previously at 400 C during one hour before irradiating them with beta particles. The Tl measures were made with a Tl reader system using three different heating rapidities and storing the glow curves. To calculate the depth of the E traps and the frequency factor s, the parameters of the glow curve were determined experimentally of the shame of the glow curve by means of the mensuration of the shame of the maximum temperature of the peak, TM like a function of the heating rapidity. The results indicate that the values of the kinetic parameters are very near among if when they are obtained indistinctly of anyone of the different methods. (Author)
Flow of kinetic parameters in a typical swimming pool type research reactor
Iqbal, Masood [Nuclear Engineering Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)], E-mail: masiqbal@hotmail.com; Mahmood, Tayyab; Pervez, Showket [Nuclear Engineering Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)
2008-03-15
Calculations were performed to estimate the variation in kinetic parameters (delayed neutron fraction and prompt neutron generation time) in different core configurations of a typical swimming pool type research reactor. Pakistan research Reactor-1 (PARR-1) was employed for this study. The effect due to burnup of the core was also studied. Calculations were performed with the help of computer codes WIMSD/4 and CITATION. Precursors yield was modified according to the neutron flux averaging only. This is the simple way to calculate the precursor yield for a particular core. The kinetic parameters are different for different core configurations. The {beta}{sub eff} decreases with 1.33 x 10{sup -6}/% burnup whereas prompt neutron generation time increases with 6.42 x 10{sup -8} s/% burnup. The results were compared with safety analysis report and with published values and were found in good agreement. This study provides the confidence to understand the change in the kinetic parameters of research reactors with core change and also with burnup of the core.
Estimation of kinetic and transport parameters by quantitative evaluation of EIS and XPS data
The relatively large number of adjustable parameters often precludes the unambiguous interpretation of electrochemical impedance spectra in terms of a unique kinetic model. In the present paper, the possibilities offered by a combination between in situ electrochemical impedance spectroscopic data and ex situ surface analytical information to improve the credibility of the estimates of the kinetic and transport parameters are discussed. Two electrode systems in which passive oxide films are formed-stainless steel in simulated pressurised water reactor coolant and tungsten in sulphate-fluoride solutions-are used as representative examples to demonstrate the different approaches taken to analyse the experimental data in terms of the Mixed-Conduction Model. Ways to extract information on the rate-limiting steps of the process of passive film formation, growth and restructuring by quantitative comparison of the model equations to electrochemical impedance and X-ray photoelectron spectroscopic data are described and the significance of the obtained parameters for the kinetics of the overall process of metal and alloy dissolution in the passive state is discussed.
Flow of kinetic parameters in a typical swimming pool type research reactor
Calculations were performed to estimate the variation in kinetic parameters (delayed neutron fraction and prompt neutron generation time) in different core configurations of a typical swimming pool type research reactor. Pakistan research Reactor-1 (PARR-1) was employed for this study. The effect due to burnup of the core was also studied. Calculations were performed with the help of computer codes WIMSD/4 and CITATION. Precursors yield was modified according to the neutron flux averaging only. This is the simple way to calculate the precursor yield for a particular core. The kinetic parameters are different for different core configurations. The βeff decreases with 1.33 x 10-6/% burnup whereas prompt neutron generation time increases with 6.42 x 10-8 s/% burnup. The results were compared with safety analysis report and with published values and were found in good agreement. This study provides the confidence to understand the change in the kinetic parameters of research reactors with core change and also with burnup of the core
Application of the exact distribution pjk in the determination of kinetic parameters in a reactor
In this report one distribution of neutron counts obtained by a detector placed in a reactor is studied in order to be used in the determination of reactor kinetic parameters such as β/Λ and reactivities. The parameters accuracy from this new method is compared with the Feynman and Mogilner method, based too in Reactor Neutron Noise Analysis. These three methods have been applied to JEN-2 reactor and the better accuracy and faster collection of experimental data give some interest to the new method which only requires a good footing code. (Author) 68 refs
Zaanoun, I.; Gharby, S.; Bakass, I.; Ait addi, E.; Ait ichou, I.
2014-01-01
The present study investigated the Kinetic parameter determination of edible argan oil (coldpressed from roasted argan kernels) and cosmetic argan oil (cold-pressed from unroasted argan kernels) under the Rancimat test conditions. The physicochemical parameters of edible and cosmetic argan oil immediately after preparation and after accelerated oxidation test Rancimat at different temperatures 90 °C, 100 °C, 110 °C, 120 °C, 130 °C and 140 °C were determined and compared. The natural logarithm...
Passalia, Claudio; Alfano, Orlando M. [INTEC - Instituto de Desarrollo Tecnologico para la Industria Quimica, CONICET - UNL, Gueemes 3450, 3000 Santa Fe (Argentina); FICH - Departamento de Medio Ambiente, Facultad de Ingenieria y Ciencias Hidricas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe (Argentina); Brandi, Rodolfo J., E-mail: rbrandi@santafe-conicet.gov.ar [INTEC - Instituto de Desarrollo Tecnologico para la Industria Quimica, CONICET - UNL, Gueemes 3450, 3000 Santa Fe (Argentina); FICH - Departamento de Medio Ambiente, Facultad de Ingenieria y Ciencias Hidricas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe (Argentina)
2012-04-15
Highlights: Black-Right-Pointing-Pointer Indoor pollution control via photocatalytic reactors. Black-Right-Pointing-Pointer Scaling-up methodology based on previously determined mechanistic kinetics. Black-Right-Pointing-Pointer Radiation interchange model between catalytic walls using configuration factors. Black-Right-Pointing-Pointer Modeling and experimental validation of a complex geometry photocatalytic reactor. - Abstract: A methodology for modeling photocatalytic reactors for their application in indoor air pollution control is carried out. The methodology implies, firstly, the determination of intrinsic reaction kinetics for the removal of formaldehyde. This is achieved by means of a simple geometry, continuous reactor operating under kinetic control regime and steady state. The kinetic parameters were estimated from experimental data by means of a nonlinear optimization algorithm. The second step was the application of the obtained kinetic parameters to a very different photoreactor configuration. In this case, the reactor is a corrugated wall type using nanosize TiO{sub 2} as catalyst irradiated by UV lamps that provided a spatially uniform radiation field. The radiative transfer within the reactor was modeled through a superficial emission model for the lamps, the ray tracing method and the computation of view factors. The velocity and concentration fields were evaluated by means of a commercial CFD tool (Fluent 12) where the radiation model was introduced externally. The results of the model were compared experimentally in a corrugated wall, bench scale reactor constructed in the laboratory. The overall pollutant conversion showed good agreement between model predictions and experiments, with a root mean square error less than 4%.
Sensitivity and uncertainty analysis on reactor kinetic parameters using perturbation theory
The analysis of nuclear reactors behavior in transient depends on the neutronic parameters including the effective delayed neutron fraction (βeff) and its family dependent components (βeff), the neutron generation lifetime (lp), and the decay constants (λi) for each delayed neutron family. With the aim of an accurate assessment of neutron parameters used to simulate transient, uncertainties on these parameters must be estimated by considering the contributions of different nuclear data, including those from the delayed data (fission yield νd and fission spectrum χd). This paper presents a methodology based on the generalized perturbation theory which allows the assessment of kinetic parameters sensitivities to nuclear data. The methodology is applied to the heterogeneous core design 'CFV' considered for sodium-cooled reactor ASTRID. The contributions of indirect term and direct terms (σfission ν and νd , χ and χd) are decomposed by isotopes and reactions and uncertainties on the kinetic parameters are calculated using the most recent data covariance suggested in COMAC (COvariance Matrices from Cadarache, version 0.1). (author)
Performances of Different Algorithms for Tracer Kinetics Parameters Estimation in Breast DCE-MRI
Roberta Fusco
2014-07-01
Full Text Available Objective of this study was to evaluate the performances of different algorithms for tracer kinetics parameters estimation in breast Dynamic Contrast Enhanced-MRI. We considered four algorithms: two non-iterative algorithms based on impulsive and linear approximation of the Arterial Input Function respectively; and two iterative algorithms widely used for non-linear regression (Levenberg-Marquardt, LM and VARiable PROjection, VARPRO. Per each value of the kinetic parameters within a physiological range, we simulated 100 noisy curves and estimated the parameters with all algorithms. Sampling time, total duration and noise level have been chosen as in a typical breast examination. We compared the performances with respect to the Cramer-Rao Lower Bound (CRLB. Moreover, in order to gain further insight we applied the algorithms to a real breast examination. Accuracy of all the methods depends on the specific value of the parameters. The methods are in general biased: however, VARPRO showed small bias in a region of the parameter space larger than the other methods; moreover, VARPRO approached CRLB and the number of iterations were smaller than LM. In the specific conditions analyzed, VARPRO showed better performances with respect to LM and to non-iterative algorithms
An Evaluation of Kinetic Parameters of Cadmium and Copper Biosorption by Immobilized Cells
Nelly Georgieva
2007-10-01
Full Text Available Bioremediation is the use of living organisms to reduce or eliminate environmental hazards resulting from the accumulation of toxic chemicals and other hazardous wastes. This technology is based on the utilization of microorganisms to transform organic and inorganic compounds. The filamentous yeast Trichosporon cutaneum strain R57, immobilized and free cells was cultivated as batch culture on a liquid medium in the presence of various concentrations of cadmium and copper ions. The simultaneous uptake and accumulation of Cd2+ and Cu2+ ions by Tr. cutaneum cells depending on the initial concentration of Cd2+ and Cu2+ in the medium were studied. The potential use of the free and immobilized cells of Trichosporon cutaneum to remove cadmium and copper ions, from aqueous solutions was evaluated. Two important physicochemical aspects for the evaluation of the sorption process as a unit operation are the equilibrium of sorption and the kinetics. The Cd2+ and Cu2+ ions biosorption capacities of all tested adsorbent were presented as a function of the initial concentration of metal ions within the aqueous biosorption medium. The individual, as well as bicomponent sorption kinetics of copper and cadmium ions by immobilised cells of Trichosporon cutaneum R57 is presented. A second order kinetic model obtains kinetic parameters for the copper and cadmium ions.
Association between plasma zinc concentration and zinc kinetic parameters in premenopausal women.
Yokoi, Katsuhiko; Egger, Norman G; Ramanujam, V M Sadagopa; Alcock, Nancy W; Dayal, Hari H; Penland, James G; Sandstead, Harold H
2003-11-01
The objective of this study was to measure relationships between plasma zinc (Zn) concentrations and Zn kinetic parameters and to measure relationships of Zn status with taste acuity, food frequency, and hair Zn in humans. The subjects were 33 premenopausal women not taking oral contraceptives and dietary supplements containing iron and Zn. Main outcomes were plasma Zn concentrations, Zn kinetic parameters based on the three-compartment mammillary model using 67Zn as a tracer, electrical taste detection thresholds, and food frequencies. Lower plasma Zn was significantly (P rate constants from the lesser peripheral pool to the central pool and from the central pool to the greater peripheral pool. The break points in the plasma Zn-Zn kinetics relationship were found between 9.94 and 11.5 micromol/l plasma Zn. Smaller size of the lesser peripheral pool was associated with lower frequency of beef consumption and higher frequency of bran breakfast cereal consumption. Hypozincemic women with plasma Zn low Zn status. PMID:12865259
Optimization of kinetic parameters for the degradation of plasmid DNA in rat plasma
Chaudhry, Q. A.
2014-12-01
Biotechnology is a rapidly growing area of research work in the field of pharmaceutical sciences. The study of pharmacokinetics of plasmid DNA (pDNA) is an important area of research work. It has been observed that the process of gene delivery faces many troubles on the transport of pDNA towards their target sites. The topoforms of pDNA has been termed as super coiled (S-C), open circular (O-C) and linear (L), the kinetic model of which will be presented in this paper. The kinetic model gives rise to system of ordinary differential equations (ODEs), the exact solution of which has been found. The kinetic parameters, which are responsible for the degradation of super coiled, and the formation of open circular and linear topoforms have a great significance not only in vitro but for modeling of further processes as well, therefore need to be addressed in great detail. For this purpose, global optimization techniques have been adopted, thus finding the optimal results for the said model. The results of the model, while using the optimal parameters, were compared against the measured data, which gives a nice agreement.
Determination of thermoluminescence kinetic parameters of terbium-doped zirconium oxide
In recent years considerable importance has been attached to zirconium oxide doped with rare earth (ZrO2 : RE) thin films due to their desirable characteristics for use in UV dosimetry. In our laboratories we have developed a method to prepare ZrO2 : RE thin films. Dosimetric characteristics of these materials have been reported previously (Azorin et al., Radiat. Meas. 29 (1998) 315; Radiat. Prot. Dosim. 85 (1999) 317) and results of these have stimulated continued development and analysis of the thermoluminescence mechanism. Two important parameters to be determined in TL studies are the activation energy (E) and the frequency factor (s). This paper presents the results of determining kinetic parameters of terbium-doped zirconium oxide (ZrO2 : Tb) thin films, exposed to 260 nm UV light, using the Lushchik (Sov. Phys. JETF 3 (1956) 390) and Chen (J. Appl. Phys. 40 (1969) 570; J. Electrochem. Soc. 166 (1969) 1254) methods. Kinetic analysis of the glow curve shows second order kinetics for both the first and second glow peaks. (author)
Hybrid Differential Evolution for Estimation of Kinetic Parameters for Biochemical Systems
ZHAO Chao; XU Qiaoling; LIN Siming; LI Xuelai
2013-01-01
Determination of the optimal model parameters for biochemical systems is a time consuming iterative process.In this study,a novel hybrid differential evolution(DE)algorithm based on the differential evolution technique and a local search strategy is developed for solving kinetic parameter estimation problems.By combining the merits of DE with Gauss-Newton method,the proposed hybrid approach employs a DE algorithm for identifying promising regions of the solution space followed by use of Gauss-Newton method to determine the optimum in the identified regions.Some well-known benchmark estimation problems are utilized to test the efficiency and the robustness of the proposed algorithm compared to other methods in literature.The comparison indicates that the present hybrid algorithm outperforms other estimation techniques in terms of the global searching ability and the convergence speed.Additionally,the estimation of kinetic model parameters for a feed batch fermentor is carried out to test the applicability of the proposed algorithm.The result suggests that the method can be used to estimate suitable values of model parameters for a complex mathematical model.
Christley Scott
2010-07-01
Full Text Available Abstract Background Stochastic effects can be important for the behavior of processes involving small population numbers, so the study of stochastic models has become an important topic in the burgeoning field of computational systems biology. However analysis techniques for stochastic models have tended to lag behind their deterministic cousins due to the heavier computational demands of the statistical approaches for fitting the models to experimental data. There is a continuing need for more effective and efficient algorithms. In this article we focus on the parameter inference problem for stochastic kinetic models of biochemical reactions given discrete time-course observations of either some or all of the molecular species. Results We propose an algorithm for inference of kinetic rate parameters based upon maximum likelihood using stochastic gradient descent (SGD. We derive a general formula for the gradient of the likelihood function given discrete time-course observations. The formula applies to any explicit functional form of the kinetic rate laws such as mass-action, Michaelis-Menten, etc. Our algorithm estimates the gradient of the likelihood function by reversible jump Markov chain Monte Carlo sampling (RJMCMC, and then gradient descent method is employed to obtain the maximum likelihood estimation of parameter values. Furthermore, we utilize flux balance analysis and show how to automatically construct reversible jump samplers for arbitrary biochemical reaction models. We provide RJMCMC sampling algorithms for both fully observed and partially observed time-course observation data. Our methods are illustrated with two examples: a birth-death model and an auto-regulatory gene network. We find good agreement of the inferred parameters with the actual parameters in both models. Conclusions The SGD method proposed in the paper presents a general framework of inferring parameters for stochastic kinetic models. The method is
Analysis of burn up effects on kinetic parameters in an Accelerator Driven Subcritical TRIGA reactor
Highlights: • Among the kinetic parameters, the most important ones are βeff and Λ. • The kinetic parameters at the end of cycle for 20 days operation at 1 MW reactor power have been calculated using MCNPX code. • The system sub-criticality levels, the required accelerator current and power have been calculated for each burnup step. • Burnup effects on neutronic parameters and accelerator requirements are analysed for a life cycle of the reactor core. - Abstract: In this paper, the kinetic parameters at the end of cycle for 20 days operation at 1 MW reactor power have been calculated using MCNPX code for source multiplication factors (Ks) of critical and 0.97 levels. Accelerator Driven Subcritical TRIGA reactor has been considered as the case study of the problem. The system sub-criticality levels, the required accelerator current (Ip) and power (Pacc) have been calculated for each burn up step. According to the results, the required Ip and Pacc increased as system sub-criticality level decreased. Also, the results show that the effective delayed neutron fraction (βeff) does not depend on sub-criticality levels significantly but the neutron reproduction time (Λ) strongly depends on the number of fuel elements in the core and sub-criticality levels. In addition, it was observed that in comparison with the beginning-of-cycle values, at end-of-cycle, the Λ increases by 112.6% and 108.4% respectively but the βeff decreases by 6.1% and 1.8% respectively in critical and 0.97 levels
Modelling and determination of the kinetic parameters of the pyrolysis of Dichrostachys cinerea
In the present study were analyzed biomass samples of Dichrostachys cinerea, commonly known in Cuba as marabou, by thermogravimetric method at various heating rates of devolatilization in nitrogen atmosphere at 5, 10 and 20 C min-1. On the kinetic analysis was used a mechanism of three independent reactions of order 1, generally attributed to three chief components of this kind of lignocellulose materials, hemicelluloses, cellulose and lignin. The values of activation energy, pre-exponential factor and contribution factor were similar to those reported in previous research for this type of biomass. The proposed model predicts with acceptable correlation the experimental and calculated curves of the decomposition of D. cinerea, with a deviation factor less than 5% for the temperature range studied. On the other hand, the kinetic parameters of the thermal decomposition coupled at equations of transport phenomena are essential to optimize the design and use of biomass thermochemical conversion processes, hence the importance of the research. (author)
Measures of the zero power nuclear reactor's kinetic parameters with application of noise analysis
The purpose of this work was to establish an experimental technique based on noise analysis for measuring the ratio of kinetic parameters β/ Λ and the power of the Zero Power Nuclear Reactor IPEN-MB 01. A through study of the microscopic and macroscopic noise analysis techniques has been carried out. The Langevin technique and the point kinetic model were chosen to describe the stochastic phenomena that occur in the zero power reactor. Measurements have been made using two compensated ionization chambers localized in the water reflector at symmetric positions in order to minimize spatial effects on the neutron flux fluctuation. Power calibrations based on the low frequency plateau of the cross-power spectral density has also been carried out. (author)
Berezovska, Ganna; Mostarda, Stefano; Rao, Francesco
2012-01-01
Molecular simulations as well as single molecule experiments have been widely analyzed in terms order parameters, the latter representing candidate probes for the relevant degrees of freedom. Notwithstanding this approach is very intuitive, mounting evidence showed that such description is not accurate, leading to ambiguous definitions of states and wrong kinetics. To overcome these limitations a framework making use of order parameter fluctuations in conjunction with complex network analysis is investigated. Derived from recent advances in the analysis of single molecule time traces, this approach takes into account of the fluctuations around each time point to distinguish between states that have similar values of the order parameter but different dynamics. Snapshots with similar fluctuations are used as nodes of a transition network, the clusterization of which into states provides accurate Markov-State-Models of the system under study. Application of the methodology to theoretical models with a noisy orde...
2008-01-01
A novel plug-plug kinetic capillary electrophoresis method was established, which can be used to si-multaneously determine the kinetic parameters kon and koff in interaction systems. The method is comparatively simple and some restrictions in conventional ppKCE methods can be effectively avoided. The requirements for resolution and detection sensitivity in this method are much lower than those of conventional ppKCE. The successful determination of the kinetic parameters and the binding constant Kb between citalopram and BSA showed availability of this method. The results were confirmed by us-ing the time ratio method. The application field of kinetic capillary electrophoresis can be expanded with this new method.
XIONG CaiQiao; XIA ZhiNing; HUANG Rui; CHEN Hua; XU Pan
2008-01-01
A novel plug-plug kinetic capillary electrophoresis method was established, which can be used to si-multaneously determine the kinetic parameters kon and koff in interaction systems. The method is comparatively simple and some restrictions in conventional ppKCE methods can be effectively avoided, The requirements for resolution and detection sensitivity in this method are much lower than those of conventional ppKCE, The successful determination of the kinetic parameters and the binding constant Kb between citalopram and BSA showed availability of this method, The results were confirmed by us-ing the time ratio method. The application field of kinetic capillary electrophoresis can be expanded with this new method,
Closed-form kinetic parameter estimation solution to the truncated data problem
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.
Calculation of kinetics parameters for the Dalat Nuclear Reactor (DNR) using MCNP5
The determination of kinetics parameters takes an important role in the safety operation of a nuclear reactor, thus the calculation of these parameters is essential. This paper presents the application of Monte-Carlo method in order to perform the above-mentioned purpose. Two types of calculated kinetics parameters for the Dalat reactor are the effective delayed neutron fraction (βeff ) and the prompt neutron generation time (lp). The calculations were performed for the fuel loading patterns of 104 high-enriched uranium (HEU) fuel assemblies and 92 low-enriched uranium (LEU) fuel assemblies. The effective delayed neutron fractions were calculated by prompt method, and the calculated results are 0.80 ± 0.02% for HEU and 0.75 ± 0.03% for LEU fuel loading pattern. The prompt neutron generation times were calculated by 1/v method, and the calculated results are 95.01 ± 1.96 (µs) for HEU and 92.31 ± 2.64 (µs) for LEU fuel loading pattern. The comparison of (βeff/lp) ratio between the calculation and previous measurement shows a good agreement. (author)
Vastemans, V; Rooman, M; Bogaerts, Ph
2009-01-01
Bioprocess model structures that require nonlinear parameter estimation, thus initialization values, are often subject to poor identification performances because of the uncertainty on those initialization values. Under some conditions on the model structure, it is possible to partially circumvent this problem by an appropriate decoupling of the linear part of the model from the nonlinear part of it. This article provides a procedure to be followed when these structural conditions are not satisfied. An original method for decoupling two sets of parameters, namely, kinetic parameters from maximum growth, production, decay rates, and yield coefficients, is presented. It exhibits the advantage of requiring only initialization of the first subset of parameters. In comparison with a classical nonlinear estimation procedure, in which all the parameters are freed, results show enhanced robustness of model identification with regard to parameter initialization errors. This is illustrated by means of three simulation case studies: a fed-batch Human Embryo Kidney cell cultivation process using a macroscopic reaction scheme description, a process of cyclodextrin-glucanotransferase production by Bacillus circulans, and a process of simultaneous starch saccharification and glucose fermentation to lactic acid by Lactobacillus delbrückii, both based on a Luedeking-Piret model structure. Additionally, perspectives of the presented procedure in the context of systematic bioprocess modeling are promising. PMID:19455623
Effects of metformin on cell kinetic parameters of MCF-7 breast cancer cells in vitro.
Topcul, Mehmet; Cetin, Idil
2015-01-01
In this study, the antiproliferative effects of the metformin was evaluated on MCF-7 Cells (human breast adenocarcinoma cell line). For this purpose cell kinetic parameters including cell proliferation assay, mitotic index and labelling index analysis were used. 30 μM, 65 μM and 130 μM Metformin doses were applied to cells for 24, 48 and 72 hours. The results showed that there was a significant decrease in cell proliferation, mitotic index and labelling index for all experimental groups (p<0.05) for all applications. PMID:25824763
Claudio Milton Montenegro Campos; Marco Antonio Calil Prado; Erlon Lopes Pereira
2014-01-01
This study evaluated the treatment of wastewater from coffee wet processing (WCWP) in an anaerobic treatment system at a laboratory scale. The system included an acidification/equalization tank (AET), a heat exchanger, an Upflow Anaerobic Sludge Blanket Reactor (UASB), a gas equalization device and a gas meter. The minimum and maximum flow rates and volumetric organic loadings rate (VOLR) were 0.004 to 0.037 m 3 d -1 and 0.14 to 20.29 kgCOD m -3 d -1 , respectively. The kinetic parameters mea...
The strong prognostic value of KELIM, a model-based parameter from CA 125 kinetics in ovarian cancer
You, Benoit; Colomban, Olivier; Heywood, Mark; Lee, Chee; Davy, Margaret; Reed, Nicholas; Pignata, Sandro; Varsellona, Nenzi; Emons, Günter; Rehman, Khalid; Steffensen, Karina Dahl; Reinthaller, Alexander; Pujade-Lauraine, Eric; Oza, Amit
2013-01-01
Unexpected results were recently reported about the poor surrogacy of Gynecologic Cancer Intergroup (GCIG) defined CA-125 response in recurrent ovarian cancer (ROC) patients. Mathematical modeling may help describe CA-125 decline dynamically and discriminate prognostic kinetic parameters....
Parameter Identification and On-line Estimation of a Reduced Kinetic Model
Dellorco, P.C.; Flesner, R.L.; Le, L.A.; Littell, J.D.; Muske, K.R.
1999-02-01
In this work, we present the estimation techniques used to update the model parameters in a reduced kinetic model describing the oxidation-reduction re- actions in a hydrothermal oxidation reactor. The model is used in a nonlinear model-based controller that minimizes the total aqueous nitrogen in the reac- tor effluent. Model reduction is accomplished by com- bining similar reacting compounds into one of four component groups and considering the global reac- tion pathways for each of these groups. The reduced kinetic model developed for thk reaction system pro- vides a means to characterize the complex chemical reaction system without considering each chemicaJ species present and the reaction kinetics of every pos- sible reaction pathway. For the reaction system under study, model reduction is essential in order to reduce the computational requirement so that on-line imple- mentation of the nonlinear model-based controller is possible and also to reduce the amount of a priori information required for the model.
Panusit Sungsuk; Sasiporn Chayaporn; Sasithorn Sunphorka; Prapan Kuchonthara; Pornpote Piumsomboon; Benjapon Chalermsinsuwan
2016-01-01
The aim of this study is to determine the effect of the main chemical components of biomass:cel ulose, hemicel-lulose and lignin, on chemical kinetics of biomass pyrolysis. The experiments were designed based on a simplex-lattice mixture design. The pyrolysis was observed by using a thermogravimetric analyzer. The curves obtained from the employed analytical method fit the experimental data (R2 N 0.9). This indicated that this method has the potential to determine the kinetic parameters such as the activation energy (Ea), frequency factor (A) and re-action order (n) for each point of the experimental design. The results obtained from the simplex-lattice mixture design indicated that cellulose had a significant effect on Ea and A, and the interaction between cellulose and lignin had an important effect on the reaction order, n. The proposed models were then proved to be useful for predicting pyrolysis behavior in real biomass and so could be used as a simple approximation for predicting the overall trend of chemical reaction kinetics.
Determination of the kinetic parameters of Be O using isothermal decay method
Full text: Most of the existing methods for obtaining the frequency factors make use of the trap depth (activation energy) making some assumptions about the order of the kinetics. This causes inconsistencies in the reported values of trapping parameters due that the values of the activation energy obtained by different methods differ appreciably among them. Then, it is necessary to use a method independent of the trap depth making use of the isothermal luminescence decay method. The trapping parameters associated with the prominent glow peak of Be O (280 degrees C) are reported using isothermal luminescence decay method. As a check, the trap parameters are also calculated by glow curve shape (Chen s) method after isolating the prominent glow peak by thermal cleaning technique. Our results show a very good agreement between the trapping parameters calculated by the two methods. Isothermal luminescence decay method was used for determining the trapping parameters of Be O. Results obtained applying this method are in good agreement with those obtained using other methods, except in the value of the frequency factor. (Author)
Determination of the kinetic parameters of Be O using isothermal decay method
Azorin N, J.; Torijano C, E. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico); Azorin V, C.; Rivera M, T., E-mail: azorin@xanum.uam.mx [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Av. Legaria 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico)
2015-10-15
Full text: Most of the existing methods for obtaining the frequency factors make use of the trap depth (activation energy) making some assumptions about the order of the kinetics. This causes inconsistencies in the reported values of trapping parameters due that the values of the activation energy obtained by different methods differ appreciably among them. Then, it is necessary to use a method independent of the trap depth making use of the isothermal luminescence decay method. The trapping parameters associated with the prominent glow peak of Be O (280 degrees C) are reported using isothermal luminescence decay method. As a check, the trap parameters are also calculated by glow curve shape (Chen s) method after isolating the prominent glow peak by thermal cleaning technique. Our results show a very good agreement between the trapping parameters calculated by the two methods. Isothermal luminescence decay method was used for determining the trapping parameters of Be O. Results obtained applying this method are in good agreement with those obtained using other methods, except in the value of the frequency factor. (Author)
Bozkoyunlu, Gaye; Takaç, Serpil
2014-01-01
Olive mill wastewater (OMW) with total phenol (TP) concentration range of 300-1200 mg/L was treated with alginate-immobilized Rhodotorula glutinis cells in batch system. The effects of pellet properties (diameter, alginate concentration and cell loading (CL)) and operational parameters (initial TP concentration, agitation rate and reusability of pellets) on dephenolization of OMW were studied. Up to 87% dephenolization was obtained after 120 h biodegradations. The utilization number of pellets increased with the addition of calcium ions into the biodegradation medium. The overall effectiveness factors calculated for different conditions showed that diffusional limitations arising from pellet size and pellet composition could be neglected. Mass transfer limitations appeared to be more effective at high substrate concentrations and low agitation rates. The parameters of logistic model for growth kinetics of R. glutinis in OMW were estimated at different initial phenol concentrations of OMW by curve-fitting of experimental data with the model. PMID:25244135
Comment on teaching the flux and transport parameters of Maxwellian gas within the kinetic theory
Within the kinetic theory of an ideal gas, the flux of particles having a number density n, and average velocity ν-bar impinging on a plane from one side, is sometimes written in textbooks as nν-bar/6 and sometimes as nν-bar/4. The validity of each expression is worked out here with emphasis on their effect on the pre-factor for the expressions of the transport parameters such as viscosity, diffusion coefficient and heat conductivity. It is shown that nν-bar/4 is valid in equilibrium while only when there are gradients, effectively the flux becomes nν-bar/6. For the correct derivation of the transport parameters the introduction of a distribution function for the collision times or mean free paths is essential. A methodology is suggested on how to teach this subject to undergraduate and graduate students. (author)
Determination of thermoluminescence kinetic parameters of terbium-doped zirconium oxide
In recent years zirconium oxide doped with rare earths (ZrO2:RE) thin films have reached great importance due their desirable characteristics for using them in UV dosimetry. In our laboratories we have developed a method to prepare ZrO2:RE thin films. Dosimetric characteristics of these materials have been reported in previous works. The results have stimulated research to continue developing and to analyze its thermoluminescence mechanism. Two important parameters to be determined in TL studies are the activation energy (E) and the frequency factor (s). This paper presents the results of determining kinetic parameters of terbium-doped zirconium oxide (ZrO2:Tb) thin films, when they were exposed to 260 nm UV light, using the Lushchik and Chen methods. The average E and s values obtained by applying these methods are shown in the abstract in a tabular form
WU Jian; LI Zhong; LUO He-an
2006-01-01
Beckmann rearrangement mechanism of cyclohexanone oxime, based on the characteristic of self-catalyzed reaction and polymorphism was proposed. According to the suggested mechanism, the basic approach was the rearrangement of OXH+ while the SO3 acts as dehydrating agent and OXSO3 can turn to CPLSO3 ultimately. Considering self-catalyzed reaction between OXSO3 and CPLH+ , kinetic model for Beckmann rearrangement was established. Corresponding parameters were estimated by using float genetic algorithm (GA) and simulation results agree well with the experimental data below -19.3℃. Industrial equipment was simulated and analyzed. Effects of key process parameters such as molar ratio of sulfuric acid to oxime and circulation ratio on the residual oxime are also discussed. The results show that the caprolactam exists as CPLH+ finally in oleum and the minimum molecular ratio of sulfuric acid to oxime can be 0.5 theoretically.
Determination of the kinetic parameters of K2YF5:Tb from isothermal decay of thermoluminescence
Most of the existing methods for obtaining the frequency factors make use of the trap depth (activation energy) making assumptions about the order of the kinetics. This leads to inconsistencies in the reported values of trapping parameters as the values of the activation energy obtained by different methods differ appreciably among them. Then, it is necessary to employ a method independent of the trap depth as it is the case of the method that makes use of the isothermal decay of the thermoluminescence (TL). In this paper, the isothermal decay of TL was used to determine the trapping parameters of K2YF5:Tb. The results obtained by applying this method are in good agreement with those obtained using the glow curve shape method except in the value of the frequency factor
Dessy Ariyanti
2013-03-01
Full Text Available Whey is the liquid remaining after milk has been curdled and strained. It is a by-product of the manufacture of cheese or casein and has several commercial uses. In environmental point of view, whey is kind of waste which has high pollution level due to it’s contain high organic compound with BOD and COD value 50 and 80 g/L respectively. On the other side, whey also contain an amount of lactose (4.5%-5%; lactose can be used as carbon source and raw material for producing ethanol via fermentation using yeast strain Kluyveromyces marxianus. The objective of this research is to investigate the ethanol production kinetics from crude whey through fermentation using Kluyveromyces marxianus and to predict the model kinetics parameter. The yeast was able to metabolize most of the lactose within 16 h to give 8.64 g/L ethanol, 4.43 g/L biomass, and remain the 3.122 g/L residual lactose. From the results presented it also can be concluded that common kinetic model for microbial growth, substrate consumption, and product formation is a good alternative to describe an experimental batch fermentation of Kluyveromyces marxianus grown on a medium composed of whey. The model was found to be capable of reflecting all batch culture phases to a certain degree of accuracy, giving the parameter value: μmax, Ks, YX/S, α, β : 0.32, 10.52, 0.095, 1.52, and 0.11 respectively. © 2013 BCREC UNDIP. All rights reserved(Selected Paper from International Conference on Chemical and Material Engineering (ICCME 2012Received: 27th September 2012; Revised: 29th November 2012; Accepted: 7th December 2012[How to Cite: D. Ariyanti, H. Hadiyanto, (2013. Ethanol Production from Whey by Kluyveromyces marxianus in Batch Fermentation System: Kinetics Parameters Estimation. Bulletin of Chemical Reaction Engineering & Catalysis, 7 (3: 179-184. (doi:10.9767/bcrec.7.3.4044.179-184][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.7.3.4044.179-184 ] View in |
Local field potentials in primate motor cortex encode grasp kinetic parameters.
Milekovic, Tomislav; Truccolo, Wilson; Grün, Sonja; Riehle, Alexa; Brochier, Thomas
2015-07-01
Reach and grasp kinematics are known to be encoded in the spiking activity of neuronal ensembles and in local field potentials (LFPs) recorded from primate motor cortex during movement planning and execution. However, little is known, especially in LFPs, about the encoding of kinetic parameters, such as forces exerted on the object during the same actions. We implanted two monkeys with microelectrode arrays in the motor cortical areas MI and PMd to investigate encoding of grasp-related parameters in motor cortical LFPs during planning and execution of reach-and-grasp movements. We identified three components of the LFP that modulated during grasps corresponding to low (0.3-7Hz), intermediate (~10-~40Hz) and high (~80-250Hz) frequency bands. We show that all three components can be used to classify not only grip types but also object loads during planning and execution of a grasping movement. In addition, we demonstrate that all three components recorded during planning or execution can be used to continuously decode finger pressure forces and hand position related to the grasping movement. Low and high frequency components provide similar classification and decoding accuracies, which were substantially higher than those obtained from the intermediate frequency component. Our results demonstrate that intended reach and grasp kinetic parameters are encoded in multiple LFP bands during both movement planning and execution. These findings also suggest that the LFP is a reliable signal for the control of parameters related to object load and applied pressure forces in brain-machine interfaces. PMID:25869861
Guo, Shuanbao; Xu, Pengcheng; Yu, Haitao; Cheng, Zhenxing; Li, Xinxin, E-mail: xxli@mail.sim.ac.cn
2015-03-10
Highlights: • Sensing material can be comprehensively optimized by using gravimetric cantilever. • Kinetic-thermodynamic model parameters are quantitatively extracted by experiment • Sensing-material performance is synergistically optimized by extracted parameters. - Abstract: A novel method is explored for comprehensive design/optimization of organophosphorus sensing material, which is loaded on mass-type microcantilever sensor. Conventionally, by directly observing the gas sensing response, it is difficult to build quantitative relationship with the intrinsic structure of the material. To break through this difficulty, resonant cantilever is employed as gravimetric tool to implement molecule adsorption experiment. Based on the sensing data, key kinetic/thermodynamic parameters of the material to the molecule, including adsorption heat −ΔH°, adsorption/desorption rate constants K{sub a} and K{sub d}, active-site number per unit mass N′ and surface coverage θ, can be quantitatively extracted according to physical–chemistry theories. With gaseous DMMP (simulant of organophosphorus agents) as sensing target, the optimization route for three sensing materials is successfully demonstrated. Firstly, a hyper-branched polymer is evaluated. Though suffering low sensitivity due to insufficient N′, the bis(4-hydroxyphenyl)-hexafluoropropane (BHPF) sensing-group exhibits satisfactory reproducibility due to appropriate −ΔH°. To achieve more sensing-sites, KIT-5 mesoporous-silica with higher surface-area is assessed, resulting in good sensitivity but too high −ΔH° that brings poor repeatability. After comprehensive consideration, the confirmed BHPF sensing-group is grafted on the KIT-5 carrier to form an optimized DMMP sensing nanomaterial. Experimental results indicate that, featuring appropriate kinetic/thermodynamic parameters of −ΔH°, K{sub a}, K{sub d}, N′ and θ, the BHPF-functionalized KIT-5 mesoporous silica exhibits synergistic
Evaluation of kinetic parameters of PAN fibre modified by electron beam radiation
Carbon fibers used for structural application are about 90% based on polyacrylonitrile (PAN) precursors due to their physical and mechanical properties. The thermal process is the conventional way to obtain a carbon fiber from PAN precursors. However, the use of ionizing radiation is given as an alternative technology to improve the physical and mechanical properties of the resulting carbon fiber. The aim of this paper was to obtain kinetic parameters (activation energy, conversion and isoconversion data) from DSC curves of PAN fibers irradiated with electron beam (EB) at different doses using the software Model Free Kinetics. The EB irradiation doses applied were: 0.2; 0.4; 0.6; 0.8; 1.0 and 1.2 MGy. The effect of ionizing radiation was evaluated by the thermal behavior of PAN precursors studied by Differential Scanning Calorimetry (DSC), which presents an exothermic peak in the range of 200 deg C to 400 deg C, depending on the experimental conditions of the DSC measurements. The obtained results showed that non-irradiated PAN fiber needs higher temperatures or longer reaction times to reach the same conversion degrees of the irradiated PAN fibers. Among the irradiated fibers, the reaction times decrease as a function of the radiation dose applied. However, the most important changes were observed for doses up to 0.4 MGy. The experimental results indicate that the EB radiation induces modification in the PAN fibers, which became them more liable in the oxidation process. (author)
Kinetic parameter estimation and fluctuation analysis of CO at SnO 2 single nanowires
Tulzer, Gerhard
2013-07-12
In this work, we present calculated numerical values for the kinetic parameters governing adsorption/desorption processes of carbon monoxide at tin dioxide single-nanowire gas sensors. The response of such sensors to pulses of 50 ppm carbon monoxide in nitrogen is investigated at different temperatures to extract the desired information. A rate-equation approach is used to model the reaction kinetics, which results in the problem of determining coefficients in a coupled system of nonlinear ordinary differential equations. The numerical values are computed by inverse-modeling techniques and are then used to simulate the sensor response. With our model, the dynamic response of the sensor due to the gas-surface interaction can be studied in order to find the optimal setup for detection, which is an important step towards selectivity of these devices. We additionally investigate the noise in the current through the nanowire and its changes due to the presence of carbon monoxide in the sensor environment. Here, we propose the use of a wavelet transform to decompose the signal and analyze the noise in the experimental data. This method indicates that some fluctuations are specific for the gas species investigated here. © 2013 IOP Publishing Ltd.
A new multi-wavelength model-based method for determination of enzyme kinetic parameters
Mohammad-Hossein Sorouraddin; Kaveh Amini; Abdolhossein Naseri; Javad Vallipour; Jalal Hanaee; Mohammad-Reza Rashidi
2010-09-01
Lineweaver–Burk plot analysis is the most widely used method to determine enzyme kinetic parameters. In the spectrophotometric determination of enzyme activity using the Lineweaver–Burk plot, it is necessary to find a wavelength at which only the substrate or the product has absorbance without any spectroscopic interference of the other reaction components. Moreover, in this method, different initial concentrations of the substrate should be used to obtain the initial velocities required for Lineweaver–Burk plot analysis. In the present work, a multi-wavelength model-based method has been developed and validated to determine Michaelis–Menten constants for some enzyme reactions. In this method, a selective wavelength region and several experiments with different initial concentrations of the substrate are not required. The absorbance data of the kinetic assays are fitted by non-linear regression coupled to the numeric integration of the related differential equation. To indicate the applicability of the proposed method, the Michaelis–Menten constants for the oxidation of phenanthridine, 6-deoxypenciclovir and xanthine by molybdenum hydroxylases were determined using only a single initial concentration of the substrate, regardless of any spectral overlap.
Ríos, Francisco; Fernández-Arteaga, Alejandro; Lechuga, Manuela; Jurado, Encarnación; Fernández-Serrano, Mercedes
2016-05-01
This paper reports a study of the anaerobic biodegradation of non-ionic surfactants alkyl polyglucosides applying the method by measurement of the biogas production in digested sludge. Three alkyl polyglucosides with different length alkyl chain and degree of polymerization of the glucose units were tested. The influence of their structural parameters was evaluated, and the characteristics parameters of the anaerobic biodegradation were determined. Results show that alkyl polyglucosides, at the standard initial concentration of 100 mgC L(-1), are not completely biodegradable in anaerobic conditions because they inhibit the biogas production. The alkyl polyglucoside having the shortest alkyl chain showed the fastest biodegradability and reached the higher percentage of final mineralization. The anaerobic process was well adjusted to a pseudo first-order equation using the carbon produced as gas during the test; also, kinetics parameters and a global rate constant for all the involved metabolic process were determined. This modeling is helpful to evaluate the biodegradation or the persistence of alkyl polyglucosides under anaerobic conditions in the environment and in the wastewater treatment. PMID:26820643
The methods to calculate the kinetics parameters βeff (effective delayed neutron fraction) and Λ (neutron generation time) with the differential operator sampling have been reviewed. The comparison of the results obtained with the differential operator sampling and iterated fission probability approaches has been performed. It is shown that the differential operator sampling approach gives the same results as the iterated fission probability approach within the statistical uncertainty. In addition, the prediction accuracy of the evaluated nuclear data library JENDL-4.0 for the measured Βeff/Λ and βeff values is also examined. It is shown that JENDL-4.0 gives a good prediction except for the uranium-233 systems. The present results imply the need for revisiting the uranium-233 nuclear data evaluation and performing the detailed sensitivity analysis. (author)
Aceves, S; Dibble, R; Flowers, D; Smith, J R; Westbrook, C K
1999-07-19
This paper uses the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to analyze natural gas HCCI combustion in an engine. The HCT code has been modified to better represent the conditions existing inside an engine, including a wall heat transfer correlation. Combustion control and low power output per displacement remain as two of the biggest challenges to obtaining satisfactory performance out of an HCCI engine, and these are addressed in this paper. The paper considers the effect of natural gas composition on HCCI combustion, and then explores three control strategies for HCCI engines: DME (dimethyl ether) addition, intake heating and hot EGR addition. The results show that HCCI combustion is sensitive to natural gas composition, and an active control may be required to compensate for possible changes in composition. The three control strategies being considered have a significant effect in changing the combustion parameters for the engine, and should be able to control HCCI combustion.
Determination Of Enzyme Kinetic Parameters on Sago Starch Hydrolysis By Linearized Graphical Methods
Amyloglucosidase (E.C. 3.2.1.3) from Aspergillus niger was used to hydrolyze the sago (Metro xylon sagu) starch into reducing sugars. The experiment was conducted at constant temperature, 55 degree Celsius; pH, 4.5 and enzyme amount, 0.2 U/ ml, respectively. In this investigation, the substrate concentration was varied ranging from 1.0 - 7.0 g/ L. The obtained data were then fixed into linearized plots namely Lineweaver-Burk and Langmuir models to calculate enzyme kinetic parameters, Km and Vmax. Both of the Km and Vmax (mM, mol/min) values from each plot were: Lineweaver-Burk (26.53, 3.31) and Langmuir (13.52, 2.35). Among the linearized models, Km and Vmax values acquired from Langmuir plot was chosen. (author)
Highlights: • Among the kinetic parameters, the most important ones are βeff and Λ. • Several methods including the Rossi-α and Feynman-α techniques, slope fit and MCNPX code have been investigated. • The Monte Carlo MCNPX code was used to simulate a geometrical model of the TRIGA core. • The results of the methods have been validated. - Abstract: In this study, noise analysis techniques including Feynman-α (variance-to-mean) and Rossi-α (correlation) and dynamic method such as slope fit method have been used to calculate effective delayed neutron fraction (βeff) and neutron reproduction time (Λ) in Accelerator Driven Subcritical TRIGA reactor. The obtained results have been compared with MCNPX code results. The relative difference between MCNPX code with Feynman-α and Rossi-α techniques and slope fit method for βeff are approximately −5.4%, 1.2%, and −10.6%, −14.8%, respectively, and also for Λ is approximately 2.1%. According to results, the noise methods can been considered ideal for detection with high efficiency and zero dead time and in the slope fit method, the decay of the delayed neutrons has been neglected and only the prompt neutrons have been taken into account. In addition, quantities simulated in the current study are validated against both the reference data and the results of MCNPX code. Therefore, the purpose of this study is to simulate the commonly used experimental methods by MCNPX code and investigate the convergence as well as accuracy of the computational results for different analysis methods in calculation of the kinetic parameters in an Accelerator Driven Subcritical TRIGA reactor
Yazici, A N
2003-01-01
In this paper, the thermal bleaching curves (TBCs) of specific optical absorption bands of LiF : Mg,Ti were measured as a function of temperature. The TBCs obtained were analysed to extract the kinetic parameters (the thermal activation energy (E) and the frequency factor (s)) of some TL glow peaks of LiF : Mg,Ti on the basis of the developed first-order kinetic model over a specified temperature region.
E. Baümler; M. B. Fernández; Nolasco, S. M.; Pérez, E. E.
2014-01-01
In this study the kinetics of oil extraction from partially dehulled safflower seeds under two moisture conditions (7 and 9% dry basis) was investigated. The extraction assays were performed using a stirred batch system, thermostated at 50 ºC, using n-hexane as solvent. The data obtained were fitted to a modified diffusion model in order to represent the extraction kinetics. The model took into account a washing and a diffusive step. Fitting parameters were compared statistically for both moi...
de Andrade, Rafael Ramos; Rivera, Elmer Ccopa; Atala, Daniel I P; Filho, Rubens Maciel; Filho, Francisco Maugeri; Costa, Aline C
2009-08-01
The accurate description of the kinetics and robust modeling of biotechnological processes can only be achieved by incorporating reliable methodologies to easily update the model when there are changes in operational conditions. The purpose of this work is to provide a systematic approach with which to perform model parameters screening and updating in biotechnological processes. Batch experiments are performed to develop a mechanistic model, considering the effect of temperature on the kinetics, and further experiments (batch fermentations using sugar cane molasses from a different harvest) are used to validate the effectiveness of screening before parameters updating. The reduction in the number of kinetic parameters to be re-estimated enabled by the screening procedure reduces significantly the complexity of the optimization, which makes the updating procedure to be significantly quicker, while resulting in accurate performance of the updated model. PMID:19125302
This work presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on subcriticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two groups diffusion model, considering, in both case, only one precursor's family. The solutions were obtained using the expansion method. Also, descriptions of the main experimental methods of measurements of the kinetic parameters are presented in order to put a question about the compatibility of these methods in subcritical region. (author)
Kinetic parameters estimation in research reactors by means of the neutron noise technique
This work shows the application of the neutron noise technique for the kinetic parameters estimation in research reactors. It presents the results obtained for the prompt neutron constant 'α' in the research reactors RA-0, RA-1, RA-3, RA-4, RA-6 and RA-8. This important parameter is used in safety analysis and neutron codes validation. The ionization chambers (CI1, CI2) were located close to the reactor core, in order to have a high absolute efficiency with the purpose of obtaining a high precision value of 'α'. It was applied a method based in data fit of the power spectral density, which estimates the absolute efficiency 'ε' of CI1 and CI2 as well as the thermal power. In addition, a second method based in the called 'Autoregressive Moving Average Model' (ARMA) was applied for the first time in the research reactors of CNEA. A comparative study of both methods, is presented for a set of measurements performed in the RA-1 reactor for high and low absolute efficiency. In the case of high efficiency, the estimation of 'α' obtained form both methods was coincident. For the low efficiency case both estimations of 'α' differ approximately in a 30 % by defect with respect to the value obtained in the case of high efficiency. (author)
Z. R. Yelebe
2014-03-01
Full Text Available This paper addresses the challenge of estimating various kinetic parameters for the design of an optimized enzyme catalysed batch bioreactor of high efficiency and yield. Mathematical models were developed to describe the batch reaction time in relation to the substrate, enzyme and product concentration. The results obtained from the plots generated were: 35.50gmol/l.hr for the velocity of reaction of the enzymes (Vmax, 0.10049hr-1 for the maximum specific growth rate (µmax 826.45gmol/l for the Michaelis-Menten constant (Km, 0.005402577 for maintenance coefficient (Ms, 10.104kgCx/kgCs for yield of cell weight per unit weight of substrate (Ycx/CS, 0.05436kgCp/kgCs for yield of product weight per unit weight of substrate utilized (Ycp/CS and 0.01416 for endogenous decay coefficient (Kd for the design of the batch biochemical reactor. Hence, they are useful parameters for predicting the most appropriate batch reaction conditions and the efficiency of the bioreactor. The mathematical model predictions showed that it can be considered as a good complimentary tool to real system since the simulation results of the mathematical model agrees with experimental data reported in literature.
Bayesian inference of biochemical kinetic parameters using the linear noise approximation
Finkenstädt Bärbel
2009-10-01
Full Text Available Abstract Background Fluorescent and luminescent gene reporters allow us to dynamically quantify changes in molecular species concentration over time on the single cell level. The mathematical modeling of their interaction through multivariate dynamical models requires the deveopment of effective statistical methods to calibrate such models against available data. Given the prevalence of stochasticity and noise in biochemical systems inference for stochastic models is of special interest. In this paper we present a simple and computationally efficient algorithm for the estimation of biochemical kinetic parameters from gene reporter data. Results We use the linear noise approximation to model biochemical reactions through a stochastic dynamic model which essentially approximates a diffusion model by an ordinary differential equation model with an appropriately defined noise process. An explicit formula for the likelihood function can be derived allowing for computationally efficient parameter estimation. The proposed algorithm is embedded in a Bayesian framework and inference is performed using Markov chain Monte Carlo. Conclusion The major advantage of the method is that in contrast to the more established diffusion approximation based methods the computationally costly methods of data augmentation are not necessary. Our approach also allows for unobserved variables and measurement error. The application of the method to both simulated and experimental data shows that the proposed methodology provides a useful alternative to diffusion approximation based methods.
Re-examination of safety parameters using kinetic theory of nano-granular flows
The origin of the kinetic theory of granular flow was originally credited to Bagnold. By using a very primitive expression of the particle collision frequency, he derived an expression for the repulsive pressure of the particles in uniform shear flows. His repulsive pressure was proportional to the square of the velocity gradient and the particle diameter and directly proportional to the particle density. This theory was later extended by Savage and Gidaspow. Such theories provide insight on the dependence of the viscosity, and various moduli (elastic, non elastic, viscous...) in terms of the granular temperature and the associated shear-rates. Until recently, such parameters were difficult to measure because of the lack of specifically designed equipment. This challenge was successfully taken up and resolved by P. Marchal of ENSIC who designed a new rheometer for powders. This equipment can put in evidence the importance of the granular temperature on the elastic and viscous behaviors of the granular flows. Such rheological behavior is important in risk analysis for nanopowders, because as the nanopowder may be subjected to process shear rates and stresses, its structural and topological changes, in terms of the transformation of agglomerates into primary nanoparticles, have strong impacts on emission factors of nanosized particles that can be released in the environment or into a workplace from such dense-phase nanopowder processes. Such transformation can be analyzed by studying the nano-granular rheological signature of the system. Such risk assessment approach using these new fundamental rheological safety parameters is described in this paper.
Yue, Ping; Zhang, Qiang; Wang, Runyuan; Li, Yaohui; Wang, Sheng
2015-09-01
A deep understanding of turbulence structure is important for investigating the characteristics of the atmospheric boundary layer, especially over heterogeneous terrain. In the present study, turbulence intensity and turbulent kinetic energy (TKE) parameters are analyzed for different conditions with respect to stability, wind direction and wind speed over a valley region of the Loess Plateau of China during December 2003 and January 2004. The purpose of the study is to examine whether the observed turbulence intensity and TKE parameters satisfy Monin-Obukhov similarity theory (MOST), and analyze the wind shear effect on, and thermal buoyancy function of, the TKE, despite the terrain heterogeneity. The results demonstrate that the normalized intensity of turbulence follows MOST for all stability in the horizontal and vertical directions, as well as the normalized TKE in the horizontal direction. The shear effect of the wind speed in the Loess Plateau region is strong in winter and could enhance turbulence for all stability conditions. During daytime, the buoyancy and shear effect together constitute the generation of TKE under unstable conditions. At night, the contribution of buoyancy to TKE is relatively small, and mechanical shearing is the main production form of turbulence.
REMOVAL OF BORON USING CLAY-EFFECT OF PROCESS PARAMETERS,KINETIC AND ISOTHERM STUDIES
N. RAJAMOHAN
2016-03-01
Full Text Available In this study, a low-cost eco-friendly adsorbent was prepared from naturally available sarooj clay and is proposed for the removal of boron from aqueous phase. The effect of process parameters, namely initial pH, sorbent quantity, initial boron concentration, shaking speed and temperature were studied on the metal uptake under batch conditions. The process efficiency was observed to be strongly parameter dependent and the optimal pH was found to be 10.0.The uptake capacity decreased with increase in sorbent dose and increased with boron concentration. Temperature was found to have a positive influence confirming the endothermic nature of the process. Equilibrium sorption data were analysed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherm and represented well by Freundlich isotherm. The Freundlich constant was evaluated as 14.791 L g-1 at 35 °C.The mechanism of sorption was investigated using kinetic models, namely, pseudo-second order and intraparticle diffusion models .The batch experimental fitted well to pseudo-second order model and the rate constant was found to be 0.0017 g mg-1min-1 with an initial boron concentration of 100 mg L-1. The sorbent characteristics were studied using X-ray diffraction, scanning electron microscope with energy dispersive X-ray detector and X-ray fluorescence methods.
Full text: The characterization of new thermoluminescent materials used in radiation dosimetry, require the determination of kinetic parameters, which are associated with the number and shape of the peaks representing brightness curves. The most important parameters are: energy or depth of the traps (E), the frequency factor (s) and order kinetics (b). These are necessary to predict the stability of the thermoluminescent information saved after the effect of irradiation on the material. In this paper, the results of the determination of kinetic parameters of CaF2 doped with Tm3+ ions are presented, after being irradiated with gamma rays of 60Co. The methods used for the determination of kinetic parameters were: initial growth of thermoluminescent signal, Chen method of type general order and by deconvolution of the brightness curve. The results showed that the brightness curve of CaF2 has three peaks, the main peak at 491 K and two smaller peaks, one at 431 and another at 573 K. The dosimetric peak (491 K) has general order kinetics. (Author)
Kim, Ki-Bum; Hong, Duk-Geun
2014-10-01
Calcite has been of particular interest in studies of thermoluminescence (TL) because of its geological and archeological importance. Although extensive research on the TL glow curves of calcite has been conducted, most previous works have been based on the TL intensity integrated over a particular temperature range on the glow curve, without any separation of peaks. In this paper, the physical characteristics of the overlapping peaks in the TL glow curves of a calcite sample are investigated. These properties can provide useful information for determining the radiation dose absorbed to the sample in radiation dosimetry and luminescence dating research. The Tm-Tstop method is employed to identify the number of hidden glow peaks, and the kinetic parameters of each separated glow peak, including the thermal activation energy, kinetic order, and frequency factor, are evaluated using a computerized glow curve deconvolution (CGCD) method. The Tm-Tstop method indicates that the glow curve of calcite is the superposition of at least four components (P1 - P4) in the temperature range between room temperature and 450 °C. A bleaching experiment for two separated glow peaks (P3 and P4) using a solar simulator revealed that the bleaching rates of peak P3 show two exponential decays, and after bleaching, the TL intensity of peak P3 is reduced to approximately 4% of the initial value. In contrast, peak P4 is bleached exponentially to approximately 30% of the initial TL intensity and thereafter shows no detectable change in intensity. In addition, in a study of the radiation dose response of the two peaks, both peaks have a similar pattern, exhibiting a linear increment up to the maximum dose investigated, 520 Gy.
Zaanoun, I.
2014-09-01
Full Text Available The present study investigated the Kinetic parameter determination of edible argan oil (coldpressed from roasted argan kernels and cosmetic argan oil (cold-pressed from unroasted argan kernels under the Rancimat test conditions. The physicochemical parameters of edible and cosmetic argan oil immediately after preparation and after accelerated oxidation test Rancimat at different temperatures 90 °C, 100 °C, 110 °C, 120 °C, 130 °C and 140 °C were determined and compared. The natural logarithms of the kinetic rate constant (kvalue varied linearly with respect to temperature. An increasing rate of oxidation could be observed as temperature increased. On the basis of the Arrhenius equation and the activated complex theory, frequency factors A, activation energies Ea, Q10 numbers, activation enthalpies ΔH, and activation entropies ΔS for oxidative stability of the vegetable oils were calculated. The accelerated oxidation and Kinetic parameters have shown that edible argan oil can be stored much better than cosmetic oil.En presente estudio se determinaron los parámetros cinéticosde aceites de argán comestible (prensado en frío a partir de granos tostados de argán y cosmético (prensado en frío a partir de granos de argán sin tostar bajo las condiciones del método Rancimat. Se determinó y comparó los parámetros físico-químicos de aceites de argán comestible y cosmético inmediatamente después de la preparación y después de la oxidación acelerada mediante Rancimat a temperaturas de 90 °C, 100 °C, 110 °C, 120 °C, 130 °C y 140 °C Los logaritmos naturales de la constante de velocidad cinética (valor k variaron linealmente con respecto a la temperatura. Se pudo observar un valor creciente de la oxidación conel aumento de la temperatura. Se calculó para la estabilidad oxidativa de los aceites vegetalesy sobre la base de la ecuación de Arrhenius y la teoría del complejo activado, la frecuencia de los factores A, energ
Kinetic parameters for nutrient enhanced crude oil biodegradation in intertidal marine sediments
Arvind K Singh
2014-04-01
Full Text Available Availability of inorganic nutrients, particularly N and P, is often a primary control on crude oil hydrocarbon degradation in marine systems. Nevertheless, there is a paucity of information on fundamental kinetic parameters for nutrient enhanced crude oil biodegradation that can be used to model the fate of crude oil in bioremediation programmes that use inorganic nutrient addition to stimulate oil biodegradation. Here we report fundamental kinetic parameters (Ks and qmax for nitrate- and phosphate-stimulated crude oil biodegradation under nutrient limited conditions and with respect to crude oil, under conditions where N&P are not limiting. Crude oil degradation was limited by both N&P availability. When N was added alone maximum rates of CO2 production measured were 3.94±0.46 µmol CO2 /g wet sediment/day. However when the same levels of N were added in the presence of 0.5% P w/w of oil (1.6 μmol P/g wet sediment maximum rates of measured CO2 production more than doubled (11.52±0.72 µmol CO2 /g wet sediment/day. Ks and qmax estimates for N (in the form of sodium nitrate when P was not limiting were 1.57±0.56 µmol/g wet sediment and 10.57±0.63 µmol CO2 /g wet sediment/day respectively. The corresponding values for P were 80 nmol/g wet sediment and 8.76±1.15 µmol CO2 /g wet sediment/day. The qmax values with respect to N and P were not significantly different (P< 0.05. Analysis of bacterial 16S rRNA genes indicated that Alcanivorax spp. were selected in these marine sediments with increasing inorganic nutrient concentration, whereas Cycloclasticus spp. were more prevalent at lower inorganic nutrient concentrations. These data suggest that simple empirical estimates of the proportion of nutrients added relative to crude oil concentrations may not be sufficient to guarantee successful crude oil bioremediation in oxic beach sediments. The data we present also help define the maximum rates and hence timescales required for bioremediation
Efficient uranium(VI) biosorption on grapefruit peel. Kinetic study and thermodynamic parameters
The uranium(VI) biosorption by grapefruit peel was studied from aqueous solutions. Batch experiments was conducted to evaluate the effect of contact time, initial uranium(VI) concentration, initial pH, adsorbent dose, salt concentration and temperature. The equilibrium process was well described by the Langmuir, Redlich-Peterson and Koble-Corrigan isotherm models, with maximum sorption capacity of 140.79 mg g-1 at 298 K. The pseudo second order model and Elovish model adequately describe the kinetic data in comparison to the pseudo first order model and the process involving rate-controlling step is much complex involving both boundary layer and intra-particle diffusion processes. The effective diffusion parameter Di and Df values were estimated at different initial concentration and the average values were determined to be 1.167 x 10-7 and 4.078 x 10-8 cm2 s-1. Thermodynamic parameters showed that the biosorption of uranium(VI) onto grapefruit peel biomass was feasible, spontaneous and endothermic under studied conditions. The physical and chemical properties of the adsorbent were determined by SEM, TG-DSC, XRD and elemental analysis and the nature of biomass-uranium (VI) interactions was evaluated by FTIR analysis, which showed the participation of COOH, OH and NH2 groups in the biosorption process. Adsorbents could be regenerated using 0.05 mol L-1 HCl solution at least three cycles, with up to 80% recovery. Thus, the biomass used in this work proved to be effective materials for the treatment of uranium (VI) bearing aqueous solutions. (author)
Ghosh, Abir; Bandyopadhyay, Dipankar; Sharma, Ashutosh
2016-09-01
Detachment of a surface from a viscoelastic layer, such as a film of glue, engenders bridges between the surfaces until separation. Such surface instabilities arising during contact and detachment of viscoelastic films with rigid contactors have been theoretically explored by linear stability analysis and nonlinear simulations. The contact instabilities of viscoelastic materials are found to manifest in either a 'critical' or a 'dominant' mode in which the former is preferred when the contactor is slowly brought near the film while the latter manifests when the film is 'hard-pressed' against it. The nonlinear analysis considers the movement of contactor during adhesion-debonding cycle, which uncovers that the kinetic parameters can overshadow the thermodynamically predicted area of contact, average force for pull-off, energy of contactor-film separation, and pathways of debonding. Three distinct pathways of debonding - peeling, catastrophic column collapse, and column coalescence, are found to manifest with the variation in the ratio of the elastic to viscous compliances of the viscoelastic film. The study also reveals that in the dominant mode of instability, a smaller length scale with a larger area contact between the contactor and film can develop patterns having aspect ratio ∼10 times larger than the same obtained from elastic film. PMID:27254253
Trapani, Daniele Di; Mannina, Giorgio; Torregrossa, Michele; Viviani, Gaspare
2010-01-01
Over the last decade new technologies are emerging even more for wastewater treatment. Among the new technologies, a recent possible solution regards Moving Bed Biofilm Reactors (MBBRs) that represent an effective alternative to conventional processes. More specifically such systems consist in the introduction of plastic elements inside the aerobic reactor as carrier material for the growth of attached biomass. Recently, one of the mostly used alternatives is to couple the Moving Bed Biofilm Reactor (MBBR) process with the conventional activated sludge process, and the resulting process is usually called HMBBR (Hybrid MBBR). In the MBBR process the biofilm grows attached on small plastic elements that are kept in constant motion throughout the entire volume of the reactor. Indeed, in such a system, a competition between the two biomasses, suspended and attached, can arise for the availability of the substrates, leading, as a consequence, to a modification in the biokinetic parameters of the two biomasses, compared to that of a pure suspended or attached biomass process. This paper presents the first results of a study aimed at estimating the kinetic heterotrophic constants in a HMBBR pilot plant using respirometric techniques. The pilot plant was built at the Acqua dei Corsari (Palermo) wastewater treatment plant and consisted of two parallel lines realized in a pre-anoxic scheme, in one of which the carrier material was added to the aerobic reactor with a filling ratio of 30%. PMID:20371934
Lizama, H M; Suzuki, I
1989-11-01
Rate equations and kinetic parameters were obtained for various reactions involved in the bacterial oxidation of pyrite. The rate constants were 3.5 muM Fe per min per FeS(2) percent pulp density for the spontaneous pyrite dissolution, 10 muM Fe per min per mM Fe for the indirect leaching with Fe, 90 muM O(2) per min per mg of wet cells per ml for the Thiobacillus ferrooxidans oxidation of washed pyrite, and 250 muM O(2) per min per mg of wet cells per ml for the T. ferrooxidans oxidation of unwashed pyrite. The K(m) values for pyrite concentration were similar and were 1.9, 2.5, and 2.75% pulp density for indirect leaching, washed pyrite oxidation by T. ferrooxidans, and unwashed pyrite oxidation by T. ferrooxidans, respectively. The last reaction was competitively inhibited by increasing concentrations of cells, with a K(i) value of 0.13 mg of wet cells per ml. T. ferrooxidans cells also increased the rate of Fe production from Fe plus pyrite. PMID:16348054
A study of line widths and kinetic parameters of ions in the solar corona
Zhao, G Q; Wang, C B
2014-01-01
Solar extreme-ultraviolet (EUV) lines emitted by highly charged ions have been extensively studied to discuss the issue of coronal heating and solar wind acceleration. Based on observations of the polar corona by the SUMER/SOHO spectrometer, this paper investigates the relation between the line widths and kinetic parameters of ions. It is shown that there exists a strongly linear correlation between two variables $(\\sigma/\\lambda)^2$ and $M^{-1}$, where $\\sigma$, $\\lambda$ and $M$ are the half-width of the observed line profile at $1/\\sqrt{e}$, the wavelength and the ion mass, respectively. The Pearson product-moment correlation coefficients exceed 0.9. This finding tends to suggest that the ions from a given height of polar corona have a common temperature and a common non-thermal velocity in terms of existing equation. The temperature and non-thermal velocity are obtained by linear least-square fit. The temperature is around $2.8$ MK at heights of 57$''$ and 102$''$. The non-thermal velocity is typical 21.6...
Adsorption kinetic parameters of Fe3+ and Ni2+ ions by gyrolite
Kestutis Baltakys
2015-03-01
Full Text Available In this work the adsorption kinetic parameters for Fe3+ and Ni2+ ions by gyrolite are presented. Additionally, the adsoption mechanism was described by using pseudo first order and pseudo second order equations. It was determined that the adsorption capacity of gyrolite and intrusion of heavy metals ions in its structure depends on reaction time and the pH value of adsorptive. It was observed that the incorporation of Fe3+ ions occurs more intensive than Ni2+ ions. It was found that in the acidic solution the intrusion of Fe3+ ions into gyrolite structure proceeds by two types of chemical reaction mechanisms: substitution and addition. Meanwhile, nickel ions were participated only in substitution reaction: gyrolite-Ca0 + Mex+ ↔ gyrolite-Me0 + Ca2+. It was observed that the pseudo second order model fit well for iron and nickel ions adsorption mechanism. It was estimated that the adsorption reactions are not reversible process and the crystal structure of gyrolite is stable. Moreover, synthetic adsorbent and the products of sorption were characterized by XRD, STA and FT-IR methods.DOI: http://dx.doi.org/10.5755/j01.ms.21.1.5735
Chen, Dengyu; Zhou, Jianbin; Zhang, Qisheng
2014-10-01
Effects of heating rate on slow pyrolysis behaviors, kinetic parameters, and products properties of moso bamboo were investigated in this study. Pyrolysis experiments were performed up to 700 °C at heating rates of 5, 10, 20, and 30 °C/min using thermogravimetric analysis (TGA) and a lab-scale fixed bed pyrolysis reactor. The results show that the onset and offset temperatures of the main devolatilization stage of thermogravimetry/derivative thermogravimetry (TG/DTG) curves obviously shift toward the high-temperature range, and the activation energy values increase with increasing heating rate. The heating rate has different effects on the pyrolysis products properties, including biochar (element content, proximate analysis, specific surface area, heating value), bio-oil (water content, chemical composition), and non-condensable gas. The solid yields from the fixed bed pyrolysis reactor are noticeably different from those of TGA mainly because the thermal hysteresis of the sample in the fixed bed pyrolysis reactor is more thorough. PMID:25063973
Claudio Milton Montenegro Campos
2014-10-01
Full Text Available This study evaluated the treatment of wastewater from coffee wet processing (WCWP in an anaerobic treatment system at a laboratory scale. The system included an acidification/equalization tank (AET, a heat exchanger, an Upflow Anaerobic Sludge Blanket Reactor (UASB, a gas equalization device and a gas meter. The minimum and maximum flow rates and volumetric organic loadings rate (VOLR were 0.004 to 0.037 m 3 d -1 and 0.14 to 20.29 kgCOD m -3 d -1 , respectively. The kinetic parameters measured during the anaerobic biodegradation of the WCWP, with a minimal concentration of phenolic compounds of 50 mg L - ¹, were: Y = 0.37 mgTVS (mgCODremoved -1 , Kd = 0.0075 d-1 , Ks = 1.504mg L -1 , μmax = 0.2 d -1 . The profile of sludge in the reactor showed total solids (TS values from 22,296 to 55,895 mg L -1 and TVS 11,853 to 41,509 mg L -1 , demonstrating a gradual increase of biomass in the reactor during the treatment, even in the presence of phenolic compounds in the concentration already mentioned.
Qinghai Hu; Zhongjin Xiao; Xinmei Xiong; Gongming Zhou; Xiaohong Guan
2015-01-01
Although surface complexation models have been widely used to describe the adsorption of heavy metals,few studies have verified the feasibility of modeling the adsorption kinetics,edge,and isotherm data with one pH-independent parameter.A close inspection of the derivation process of Langrnuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model,Ks-kinetic,is theoretically equivalent to the adsorption constant in Langrnuir isotherm,Ks-Langmuir.The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed.The MLK model was employed to simulate the adsorption kinetics of Cu(Ⅱ),Co(Ⅱ),Cd(Ⅱ),Zn(Ⅱ) and Ni(Ⅱ) on MnO2 at pH 3.2 or 3.3 to get the values of Ks-kinetic.The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model),and the values of Ks-Langrnuir were obtained.The values of Ks-kinetic and Ks-Langrnuir are very close to each other,validating that the constants obtained by these two methods are basically the same.The MMP model with Ks-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations.Moreover,the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the Ks-kinetic constants.
Rolsted, Kamilla; Rapin, Nicolas; Steffansen, Bente
2011-01-01
Substances that compete for the same saturable intestinal transporters may when dosed together lead to altered permeability and hence influence bioavailability. The aim was to simulate kinetic parameters, i.e. K(m) and J(max), for transporter mediated E(1)S permeability across Caco-2 cells by a c...
Cáceres, Lizethly; Escudey, Mauricio; Fuentes, Edwar; Báez, María E
2010-07-15
Metsulfuron-methyl sorption kinetic was studied in Andisol and Ultisol soils in view of their distinctive physical and chemical properties: acidic pH and variable surface charge. Different kinetic models were applied to the experimental results. The pseudo-second-order model fitted sorption kinetics data better than the pseudo-first-order model. The rate constant and the initial rate constant values obtained through this model demonstrated the different behavior of metsulfuron-methyl in both kinds of soils, both parameters being the highest for Andisol. The application of Elovich equation, intraparticle diffusion model and a two-site nonequilibrium model (TSNE) allowed to conclude that: (i) the high organic matter content is the governing factor for Andisols where mass transfer across the boundary layer, and in a lesser degree, intraparticle diffusion were the two processes controlling sorption kinetic and (ii) the mineral composition was more relevant in Ultisols where rate was controlled almost exclusively by intraparticle diffusion into macropores and micropores. The slower sorption rate on Ultisols, the mechanism involved and the lower sorption capacity of this kind of soils must be taken into account to assess leaching behavior of this herbicide. PMID:20399011
A novel circulating jet loop bioreactor adapted for organic matter oxidation has been designed and constructed. In this study, the input was leachate samples collected from Kemerburgaz Odayeri waste landfill site located on the European side of Istanbul. Controlling the jet loop bioreactor to realize high rates of purification depends on maintaining the appropriate loadings and operating conditions. This requires collecting various system data to estimate the dynamics of the system satisfactorily with the aim of keeping certain parameters within the specified range. The differential transform method (DTM) based solution of the state equations reveals the current state of the process so that any deviation in the system parameters can be immediately detected and regulated accordingly. The respirometric method for kinetic parameter calculations for biodegradation has been used for some time. In many studies, the respirometer was designed separately, usually in bench-scale. However, when a separate respirometer is used, the scale effect and parameters that affect the hydrodynamic structure of the system should be taken into consideration. In this study, therefore, the jet loop reactor itself was used as a respirometer. Thus, the kinetic parameters found reflecting the characteristics of microorganisms used for biodegradation would be more realistic. If the main reactor, here the jet loop reactor, would be used as the respirometer, the kinetic parameter changes can easily be monitored in the long run. Using the bioreactor as a respirometer, the most important kinetic parameters, Ks, kd and μmax were found to be 11,000 mg L-1, 0.019 day-1, and 0.21 day-1, respectively. The stoichiometric coefficient, Y, was found to be 0.28 gr gr-1 for the present system
This paper presents the main dosimetric characteristics and kinetic parameters of a newly proposed borate glass dosimeter modified with lithium and magnesium oxide (LMB) and co-doped with Dy2O3 and P2O5. Dosimetric features include thermoluminescence (TL) glow-curve, annealing procedure, TL sensitivity, photon dose response, fading, reproducibility, minimum detectable dose, kinetics order, activation energy (E) and frequency factor (s). The proposed dosimeter exhibits simple glow curves, good linearity from 0.01 up to 4 Gy, easy annealing, excellent reproducibility and minimal fading. These attractive features will pave the way to its use in radiation dosimetry. (author)
The effects of using different low enriched uranium fuels, having same uranium density, on the kinetic parameters of a material test research reactor were studied. For this purpose, the original aluminide fuel (UAlx-Al) containing 4.40 gU/cm3 of an MTR was replaced with silicide (U3Si-Al and U3Si2-Al) and oxide (U3O8-Al) dispersion fuels having the same uranium density as of the original fuel. Simulations were carried out to calculate prompt neutron generation time, effective delayed-neutron fraction, core excess reactivity and neutron flux spectrum. Nuclear reactor analysis codes including WIMS-D4 and CITATION were used to carry out these calculations. It was observed that both the silicide fuels had the same prompt neutron generation time 0.02% more than that of the original aluminide fuel, while the oxide fuel had a prompt neutron generation time 0.05% less than that of the original aluminide fuel. The effective delayed-neutron fraction decreased for all the fuels; the decrease was maximum at 0.06% for U3Si2-Al followed by 0.03% for U3Si-Al, and 0.01% for U3O8-Al fuel. The U3O8-Al fueled reactor gave the maximum ρexcess at BOL which was 21.67% more than the original fuel followed by U3Si-Al which was 2.55% more, while that of U3Si2-Al was 2.50% more than the original UAlx-Al fuel. The neutron flux of all the fuels was more thermalized, than in the original fuel, in the active fuel region of the core. The thermalization was maximum for U3O8-Al followed by U3Si-Al and then U3Si2-Al fuel.
Yield and kinetic parameters estimation and model reduction in a recombinant E. coli fermentation
Rocha, I.; Ferreira, E. C.
2004-01-01
A genetic algorithm was used to estimate both yield and kinetic coefficients of an unstructured model representing a high-cell density fermentation of E. coli. The model is composed of mass balance equations with 3 states: Biomass, Glucose, and Acetate. Kinetic equations are based on the 3 main metabolic pathways of the microorganism: glucose oxidation, fermentation of glucose and acetate oxidation. Genetic Algorithms were used to minimize the normalized quadratic differences ...
LI Xianqing; DONG Peng; XIAO Xianming; MI Jingkui; TANG Yongchun; XIAO Zhongyao; LIU Dehan; SHEN Jiagui; YANG Yunfeng; WANG Yan
2008-01-01
In a thermal simulation experiment of gold tubes of closed-system, calculating with the KINETICS and GOR-ISOTOPE KINETICS software, kinetic parameters of gas generation and methane carbon isotopic fractionation from Triassic-Jurassic hydrocarbon source rocks in the Kuqa depression of Tarim Basin are obtained. The activation energies of methane generated from Jurassic coal, Jurassic mudstone and Triassic mudstone in the Kuqa Depression are 197-268 kJ/mol, 180-260 kJ/mol and 214-289 kJ/mol, respectively, and their frequency factors are 5.265×1013s-1, 9.761×1011 s-1 and 2.270×1014 s-1. This reflects their differences of hydrocarbon generation behaviors. The kinetic parameters of methane carbon isotopic fractionation are also different in Jurassic coal, Jurassic mudstone and Triassic mudstone, whose average activation energies are 228 kJ/mol, 205 kJ/mol and 231 kJ/mol, respectively. Combined with the geological background, the origin of natural gas in the Yinan-2 gas pool is discussed, and an accumulation model of natural gas is thus established. The Yinan-2 gas is primarily derived from Jurassic coal-bearing source rocks in the Yangxia Sag. Main gas accumulation time is 5-0 Ma and the corresponding Ro is in the range from 1.25%-1.95%. The loss rate of natural gas is 25%-30%.
E. Baümler
2014-06-01
Full Text Available In this study the kinetics of oil extraction from partially dehulled safflower seeds under two moisture conditions (7 and 9% dry basis was investigated. The extraction assays were performed using a stirred batch system, thermostated at 50 ºC, using n-hexane as solvent. The data obtained were fitted to a modified diffusion model in order to represent the extraction kinetics. The model took into account a washing and a diffusive step. Fitting parameters were compared statistically for both moisture conditions. The oil yield increased with the extraction time in both cases, although the oil was released at different rates. A comparison of the parameters showed that both the portion extracted in the washing phase and the effective diffusion coefficient were moisture-dependent. The effective diffusivities were 2.81 10-12 and 8.06 10-13 m²s-1 for moisture contents of 7% and 9%, respectively.
Fagton de Mattos Negrão; Anderson de Moura Zanine; Luciano da Silva Cabral; Alexandre Lima de Souza; Guilherme Ribeiro Alves; Daniele de Jesus Ferreira; Carlos Clayton Oliveira Dantas; Aline Lehmkuhl
2014-01-01
This experiment was conducted to evaluate the protein and carbohydrate fractions, and to estimate the in situ rumen degradation kinetic parameters of Brachiaria decumbens grass silage with inclusion of rice bran. Five rice bran inclusion levels were tested: 0, 10, 20, 30 and 40% of the natural matter, distributed into a completely randomized design with five replications. The brachiaria grass was obtained at 60 days of regrowth by cutting the forage at 10 cm from the soil and ensiling it in 1...
How is the Monoclonal Antibodies Kinetic Affected by Changes of Their Physical Parameters?
Delgado-Correal, Camilo; Lizarazo-Pérez, Heidy Alexandra
2010-01-01
The study of monoclonal antibodies (MAb) is a field of great interest to science medicine, for example, anti-TNF agents (infliximab and adalimumab) represent an important tool for the management of autoimmune and inflammatory disorders. In this work we focus on the physical description of the transport kinetics of MAb in a fluid with laminar flow and parabolic profile. To simulate the kinetics of the MAb, standard equations were solved numerically (using The Verlet algorithm) to calculate the motion of a particle with a spherically symmetric inside of parabolic laminar flow, in order to find the time evolution of the antibody velocity in blood plasma in function of the increase of the radius, mass and density of the MAb, and the fluid pressure in blood vessels. In the case of we fixed the value of the antibody density, their kinetics increased when the pressure in the vessels increased. When we fixed the pressure in the vessels we found: if we reduce the antibody radius their kinetics increased, and when we i...
Temperature effects on kinetic parameters and substrate affinity of Cel7A cellobiohydrolases
Sørensen, Trine Holst; Cruys-Bagger, Nicolaj; Windahl, Michael Skovbo;
2015-01-01
We measured hydrolytic rates of four purified cellulases in small increments of temperature (10–50 °C) and substrate loads (0–100 g/liter) and analyzed the data by a steady state kinetic model that accounts for the processive mechanism. We used wild type cellobiohydrolases (Cel7A) from mesophilic...
Chapter 13. Short-term kinetics of soil microbial respiration - a general parameter across scales
Šantrůčková, Hana; Kurbatova, J.A.; Shibistova, O.B.; Šmejkalová, M.; Uhlířová, Eva
Dordrecht : Springer, 2005, s. 229-246. ISBN 978-1-4020-3446-6 Grant ostatní: Evropská unie(XE) EVK2-2002-00555 Institutional research plan: CEZ:AV0Z60660521 Keywords : short-term kinetics * soil microbial respiration Subject RIV: EH - Ecology, Behaviour
Kinetic parameters for plasma. beta. -endorphin in lean and obese Zucker rats
Rodd, D.; Farrell, P.A.; Caston, A.L.; Green, M.H. (Department of Exercise and Sport Science, Pennsylvania State University, University Park (USA))
1991-03-01
To determine plasma clearance kinetics for {beta}-endorphin (BE) by empirical compartmental analysis, a bolus of radioactive labeled 125I-BE was rapidly injected into a carotid artery catheter of unanesthetized lean (L) and obese (O) Zucker rats. The plasma disappearance of 125I was followed over a 3-h period. A 3-component exponential equation provided the best fit for plasma data. Plasma transit times were very short (10 s); however, plasma fractional catabolic rate was much slower. Plasma mean residence time was similar for both groups (50 min) as was recycle time (1.3 min). These data suggest that BE plasma disappearance kinetics are similar in L and O rats.
Kinetic parameters for plasma β-endorphin in lean and obese Zucker rats
To determine plasma clearance kinetics for β-endorphin (BE) by empirical compartmental analysis, a bolus of radioactive labeled 125I-BE was rapidly injected into a carotid artery catheter of unanesthetized lean (L) and obese (O) Zucker rats. The plasma disappearance of 125I was followed over a 3-h period. A 3-component exponential equation provided the best fit for plasma data. Plasma transit times were very short (10 s); however, plasma fractional catabolic rate was much slower. Plasma mean residence time was similar for both groups (50 min) as was recycle time (1.3 min). These data suggest that BE plasma disappearance kinetics are similar in L and O rats
Biological kinetics parameters in a pure culture biofilm developed in an airlift reactor
Lopes, F. A.; Vieira, M. J.; Melo, L. F.
2000-01-01
A diffusion-reaction model was fitted to data obtained with Pseudomonas fluorescens biofilms developed in an airlift reactor under different limiting substrate conditions, in order to determine the biofilm kinetic constants and the substrate concentration profiles within the biological films. Model predicted concentration profiles within the biofilms demonstrate that all films were completely penetrated by the substrate and that the reaction rate inside the biofilms was of zero ...
The induction kinetics of micronuclei polychromated eritrocites (EPC-MN) which is produced by busulfan and compared with that produced by the ionizing radiation, allows to make inferences over the pharmacokinetics and pharmacodynamics of busulfan. Observing two induction mechanisms of MN, this one early at low doses and other later at high doses, this last is presented to a critical dose being very sheer and associated with an increase of the cytotoxicity. The data suggest the transformation or dependence between these two types of leisures, which to determine the narrow therapeutical margin of busulfan. The pharmacokinetic parameters determined in the early mechanisms kinetics indicate a latency period, a time of effective activity and of half life 5.7, 5.2 and 2.6 h respectively. (Author)
Şeyda Taşar
2015-12-01
Full Text Available The pyrolysis process, which is applied for the aim of producing energy and raw materials which are implemented for the chemical industry from biomass sources, is a thermal conversion process. Determination of the pyrolysis kinetic parameters are important In order to suitable equipment and process design. In this target, in the study the pyrolysis of peanut shells was conducted in a muffle furnace at static atmosphere with temperatures ranging from 300-700 °C. The effects of various parameters on the rate of thermal decomposition rate and the solid yield were determined. The parameters of interest were temperature 300-700 °C, particle size 4-50 mesh, pelletizing, and pelletizing pressure 1.103-5.103 kgf/cm2. Regression coefficients for the total decomposition step were obtained using the thermographs were obtained as a result of the pyrolysis of the peanut shells, and 20 different theoretical model equations that represented the degradation by the Coast-Redfern method. According to regression coefficients of the theoretical model equations, we determined the kinetic model that best represented the degradation. Using this model to represent the degradation, the activation energy (Ea and Arhenius frequency factor ln(A for the total reaction were calculated to be 38.245 kJ/mol and 8.124, respectively.
A comparison of region-based and pixel-based CEUS kinetics parameters in the assessment of arthritis
Grisan, E.; Raffeiner, B.; Coran, A.; Rizzo, G.; Ciprian, L.; Stramare, R.
2014-03-01
Inflammatory rheumatic diseases are leading causes of disability and constitute a frequent medical disorder, leading to inability to work, high comorbidity and increased mortality. The gold-standard for diagnosing and differentiating arthritis is based on patient conditions and radiographic findings, as joint erosions or decalcification. However, early signs of arthritis are joint effusion, hypervascularization and synovial hypertrophy. In particular, vascularization has been shown to correlate with arthritis' destructive behavior, more than clinical assessment. Contrast Enhanced Ultrasound (CEUS) examination of the small joints is emerging as a sensitive tool for assessing vascularization and disease activity. The evaluation of perfusion pattern rely on subjective semi-quantitative scales, that are able to capture the macroscopic degree of vascularization, but are unable to detect the subtler differences in kinetics perfusion parameters that might lead to a deeper understanding of disease progression and a better management of patients. Quantitative assessment is mostly performed by means of the Qontrast software package, that requires the user to define a region of interest, whose mean intensity curve is fitted with an exponential function. We show that using a more physiologically motivated perfusion curve, and by estimating the kinetics parameters separately pixel per pixel, the quantitative information gathered is able to differentiate more effectively different perfusion patterns. In particular, we will show that a pixel-based analysis is able to provide significant markers differentiating rheumatoid arthritis from simil-rheumatoid psoriatic arthritis, that have non-significant differences in clinical evaluation (DAS28), serological markers, or region-based parameters.
Model description and kinetic parameter analysis of MTBE biodegradation in a packed bed reactor
Waul, Christopher Kevin; Arvin, Erik; Schmidt, Jens Ejbye
2008-01-01
A dynamic modeling approach was used to estimate in-situ model parameters, which describe the degradation of methyl tert-butyl ether (MTBE) in a laboratory packed bed reactor. The measured dynamic response of MTBE pulses injected at the reactor's inlet was analyzed by least squares and parameter ...
A robust methodology for kinetic model parameter estimation for biocatalytic reactions
Al-Haque, Naweed; Andrade Santacoloma, Paloma de Gracia; Lima Afonso Neto, Watson;
2012-01-01
correlation of the parameters. The final model with the fitted parameters is able to describe both initial rate and dynamic experiments. Application of the methodology is illustrated with a case study using the x-transaminase catalyzed synthesis of 1-phenylethylamine from acetophenone and 2-propylamine....
Kinetic parameters of the University of Maryland reactor by the interval distribution method
The Rossi alpha of the University of Maryland Reactor was measured at criticality and at shutdown by the Babala interval-distribution method. At criticality, α/sub c/ = 145.8 +- 2.9 s-1. At shutdown, α/sub s/ = 1025.8 +- 4.1 s-1. The shutdown reactivity was found to be rho/sub s/β = -6.04 +- 0.14 dollars. An inverse kinetics analysis of a rod-drop experiment gave rho/sub s//β = -6.23 +- 0.13 dollars, which is considered with the interval-distribution result
Kadam R
2008-01-01
Full Text Available Aldehyde oxidase activity containing fractions from rabbit, guinea pig, rat and mouse livers were obtained by heat treatment and ammonium sulfate precipitation. Aldehyde oxidase activity was observed in rabbit and guinea pig livers, while aldehyde oxidase activity was absent in rat and mouse liver fractions. Enzyme kinetic parameters, K m and V max , were determined for the oxidation of benzaldehyde to benzoic acid by rabbit and guinea pig liver fractions, by spectrophotometric method, with potassium ferricyanide as the electron acceptor. The K m values obtained for both animal liver fractions were in the range of 10.3-19.1 µM.
DETERMINATION OF THE KINETIC PARAMETERS OF OXY-FUEL COMBUSTION OF COAL WITH A HIGH ASH CONTENT
K. G. P. Nunes; N. R. Marcílio
2015-01-01
Abstract The aim of this study was to determine the kinetic parameters of the oxy-fuel combustion of char from a Brazilian bituminous coal with a high ash content. The char, with a particle diameter of 715 μm, was prepared in a N2 atmosphere at 1173 K. The oxy-fuel combustion assays were performed using a thermobalance at different temperatures and O2/CO2 gas mixtures of different concentrations. According to the unreacted core model, the process is determined by chemical reaction at low temp...
Fagton de Mattos Negrão
2014-03-01
Full Text Available This experiment was conducted to evaluate the protein and carbohydrate fractions, and to estimate the in situ rumen degradation kinetic parameters of Brachiaria decumbens grass silage with inclusion of rice bran. Five rice bran inclusion levels were tested: 0, 10, 20, 30 and 40% of the natural matter, distributed into a completely randomized design with five replications. The brachiaria grass was obtained at 60 days of regrowth by cutting the forage at 10 cm from the soil and ensiling it in 10-L experimental silo bags, which were opened after 40 days. The degradability profiles for DM, CP, NDF and of the feeds for each animal utilized made it possible to obtain the estimates of the parameters analyzed. The contents of total carbohydrates (TCH, fibrous carbohydrates and fraction A+B1 of the TCH decreased linearly as the rice bran levels were elevated. Fraction A of the protein was increased linearly by 0.64% for every 1% of rice bran added to the silage. For nitrogenous fractions B3 and C, there was a decrease of 0.11 and 0.40% for each 1% of rice bran added to the silage, respectively. For the rumen degradability parameters of the dry matter, fractions A and I had estimated increases of 0.54 and 0.04% for every 1% inclusion of rice bran. For the degradation rate of fraction B (c, treatments had no effect. Fractions A and I of the crude protein degradability parameters increased by 0.22 and 0.72%, respectively, with inclusion of 1% rice bran. Inclusion levels of rice bran had no effect on fraction D, on the degradation rate of fraction B (c or lag time (L estimated for neutral detergent fiber. Inclusion of 10 and 20% rice bran in the brachiaria grass silage improves protein and carbohydrate fractions and rumen degradation kinetic parameters of dry matter, crude protein and neutral detergent fiber.
Zubov, V.; Lurie, S.; Solyaev, Y.
2016-04-01
This paper considers the identification algorithm of parameters included in a parabolic law that is often used to predict the time dependence of the thickness of the interfacial layers in the structure of composite materials based on a metal matrix. The incubation period of the process and the speed of reaction and pressure are taken into account. The proposed algorithm of identification is based on the introduction of a minimized objective function of a special kind. The problem of identification of unknown parameters in the parabolic law is formulated in a variational form. The authors of the paper have determined the desired parameters, under which the objective function has a minimum value. It is shown that on the basis of four known experimental values of the interfacial layer thickness, corresponding to different values of temperature, pressure and the time of the interfacial layer growth, it is possible to identified four model parameters. They are the activation energy, a pre-exponential parameter, the delay time of the start of the interfacial layer formation, and the parameter determining the pressure effect on the rate of interfacial layer growth. The stability of the proposed identification algorithm is also studied.
Determination of kinetic parameters in Tl dosemeters of LiF: Mg, Cu, P + PTFE developed in the ININ
The objective of this work, is the one of determining the kinetic parameters of the dosemeter of LiF: Mg, Cu, P + Ptfe; starting from the curves Tl obtained at being irradiated with alpha radiation (α), beta (β) and gamma (γ). As like to compare its sensitivity with each radiation type, considering the sensitivity of the TLD-100 as the unit. In the Chapter 1, the fundamental structure of the matter is described, making emphasis in the different radiation types, and their interaction with this. In the Chapter 2, the units are described but used in the dosimetry of the radiation. In the Chapter 3, the basic concepts of the phenomenon of Tl are described and those are explained characteristic of the deconvolution method to determine the kinetics of the one phenomenon. In the Chapter 4, the methodology is detailed that was used in the elaboration of this thesis work, describing the material Tl that were considered like reference, as well as the sources of ionizing radiation, with those that the dosemeters were irradiated and the equipment in the one that the curves Tl was obtained. Reference is made to the software used to carry out the deconvolution of the curves Tl that were obtained in the one experimental development. In the Chapter 5, the obtained results of this study are presented, showing the tables of homogenization of dosemeters and the reading of the same one; they are observed the curves Tl obtained to different radiation doses (alpha, beta and gamma), the intensity Tl in function of the dose. Also they are tabulated, the obtained results in the kinetic parameters of the three different study materials (TLD-100H, USA; TLD-100, USA and LiF: Mg, Cu, P + Ptfe developed in the l.N.l.N). They are analyzed shortly for each material Tl their sensitivity to the ionizing radiation as well as their kinetic parameters. The obtained results showed that the Tl dosemeters of LiF: Mg,Cu,P + Ptfe, they presented a bigger sensitivity that the TLD-100 when being
Choi, H W; Kim, Y H; Rim, Y H; Yang, Y S
2013-06-28
The formation of crystalline LiNbO3 (LN) from LN glass has been studied by means of differential scanning calorimetry and in situ synchrotron X-ray diffraction. The LN glass with no glass former was prepared by the polymerized complex method. The isothermal kinetics of the crystallization process is described using the Johnson-Mehl-Avrami-Kolmogorov (JMAK) equation and the Avrami exponent n is found to be ~2.0, indicating that the crystallization mechanism is diffusion-controlled growth with a decreasing nucleation rate. The effective activation energy of crystallization calculated from isothermal measurements is 6.51 eV. It is found that the LN glass directly transforms into a rhombohedral LN crystal without any intermediate crystalline phase and most crystal grains are confined within the size of ~40 nm irrespective of different isothermal temperatures. Application of JMAK theory to the non-isothermal thermoanalytical study of crystallization of LN glass is discussed. PMID:23677338
Blend of Nylon 6 and poly(ethylene-co-glycidyl methacrylate) (PEGMA) were prepared by a twin-screw extruder. Morphology observed with scanning electron microscopies (SEM) show PEGMA is well dispersed in Nylon 6 matrix. Isothermal and nonisothermal crystallization of the blend was investigated by differential scanning calorimeter (DSC) and crystallization kinetics was described by Avrami and Tobin models. Equilibrium melting temperatures were estimated from linear Hoffman-Weeks relationship. All analyses showed that the reaction between PEGMA and Nylon 6 reduced the molecular mobility and reduced the crystallization rate. Expand Kg and U* in the Hoffman-Lauritzen equation by Vyazovkin's method demonstrated that Nylon 6/PEGMA had higher Kg and U* values and provided another supportive evidence to the above interpretation
Maps of receptor binding parameters in the human brain - a kinetic analysis of pet measurements
A kinetic method is described for the estimation of neuroreceptor density as well as the rate constants for association and dissociation of rapidly equilibrating radioligands. The method is exemplified by positron emission tomographic measurements of the human brain using 11C-raclopride, a D2 dopamine receptor antagonist, and 11C-Ro 15-1788, a benzodiazepine receptor antagonist. Using a linear non iterative algorithm, regional binding characteristics were calculated and displayed poixel by pixel in brain maps. Data from repeated experiments on the same subject with different amounts of the unlabeled ligand were utilized. The binding characteristics were determined according to a two step procedure in which the time course of the free radioligand concentration was estimated from a reference region considered to be free of specific receptor binding sites. Alternative methods to determine the concentration of free radioligand are discussed. (orig.)
Huang, J.-W. [Department of Styling and Cosmetology, Tainan University of Technology, 529 Chung Cheng Road, Yung Kang City 710, Taiwan (China)], E-mail: jw.huang@msa.hinet.net; Chang, C.-C. [Department of International Business Management, Tainan University of Technology, 529 Chung Cheng Road, Yung Kang City 710, Taiwan (China); Kang, C.-C. [R and D Center, Hi-End Polymer Film Co., Ltd., 15-1 Sin Jhong Road, Sin Ying City 730, Taiwan (China); Yeh, M.-Y. [Department of Chemistry, National Cheng Kung University, No. 1, University Road, Tainan City 701, Taiwan (China); Sustainable Environment Research Centre, National Cheng Kung University, Taiwan (China)
2008-02-05
Blend of Nylon 6 and poly(ethylene-co-glycidyl methacrylate) (PEGMA) were prepared by a twin-screw extruder. Morphology observed with scanning electron microscopies (SEM) show PEGMA is well dispersed in Nylon 6 matrix. Isothermal and nonisothermal crystallization of the blend was investigated by differential scanning calorimeter (DSC) and crystallization kinetics was described by Avrami and Tobin models. Equilibrium melting temperatures were estimated from linear Hoffman-Weeks relationship. All analyses showed that the reaction between PEGMA and Nylon 6 reduced the molecular mobility and reduced the crystallization rate. Expand K{sub g} and U* in the Hoffman-Lauritzen equation by Vyazovkin's method demonstrated that Nylon 6/PEGMA had higher K{sub g} and U* values and provided another supportive evidence to the above interpretation.
Metre Anand V.
2015-03-01
Full Text Available In the present study the esterification of palm fatty acid distillate (PFAD, a by-product from palm oil industry, in the presence of super phosphoric acid (SPA catalyst was studied. The effects of various physico-chemical parameters such as temperature, PFAD to methanol molar ratio and amount of catalyst on the conversion of biodiesel were investigated. The percent conversion of FFA and properties of the biodiesel were determined following standard methodologies. Percent conversion of biodiesel was found to increase with the increase in PFAD to methanol molar ratio and at 1:12 molar ratio and 70°C temperature 95% conversion was achieved. Thermodynamic parameters were also evaluated in terms of Gibbs free energy, enthalpy and entropy at different molar ratio and temperatures. Both pseudo first and second order irreversible kinetics were applied to a wide range of experimental data. However, according to regression coefficient (R2 the second order described better experimental behavior of kinetic data.
Kinetic Modeling and Parameter Estimation in a Tower Bioreactor for Bioethanol Production
Rivera, Elmer Ccopa; da Costa, Aline Carvalho; Lunelli, Betânia Hoss; Maciel, Maria Regina Wolf; Filho, Rubens Maciel
In this work, a systematic method to support the building of bioprocess models through the use of different optimization techniques is presented. The method was applied to a tower bioreactor for bioethanol production with immobilized cells of Saccharomyces cerevisiae. Specifically, a step-by-step procedure to the estimation problem is proposed. As the first step, the potential of global searching of real-coded genetic algorithm (RGA) was applied for simultaneous estimation of the parameters. Subsequently, the most significant parameters were identified using the Placket-Burman (PB) design. Finally, the quasi-Newton algorithm (QN) was used for optimization of the most significant parameters, near the global optimum region, as the initial values were already determined by the RGA global-searching algorithm. The results have shown that the performance of the estimation procedure applied in a deterministic detailed model to describe the experimental data is improved using the proposed method (RGA-PB-QN) in comparison with a model whose parameters were only optimized by RGA.
Sensitivity analysis of large system of chemical kinetic parameters for engine combustion simulation
Hsieh, H; Sanz-Argent, J; Petitpas, G; Havstad, M; Flowers, D
2012-04-19
In this study, the authors applied the state-of-the art sensitivity methods to downselect system parameters from 4000+ to 8, (23000+ -> 4000+ -> 84 -> 8). This analysis procedure paves the way for future works: (1) calibrate the system response using existed experimental observations, and (2) predict future experiment results, using the calibrated system.
Wöhl, Anina; Müller, Wolfgang; Peitz, Stephan; Peulecke, Normen; Aluri, Bhaskar R; Müller, Bernd H; Heller, Detlef; Rosenthal, Uwe; Al-Hazmi, Mohammed H; Mosa, Fuad M
2010-07-12
In this paper we report the results of an extensive experimental kinetic study carried out on the novel ethylene trimerization catalyst system, comprising the chromium source [CrCl(3)(thf)(3)] (thf=tetrahydrofuran), a Ph(2)P-N(iPr)-P(Ph)-N(iPr)H (PNPNH) ligand (Ph=phenyl, iPr=isopropyl), and triethylaluminum (AlEt(3)) as activator. It could be shown that the initial activity shows a first-order dependency on the ethylene concentration. Also, a first-order dependency was found for the catalyst concentration. The initial activity follows a typical Arrhenius behavior with an experimentally determined activation energy of 52.6 kJ mol(-1). At elevated temperatures (ca. 80 degrees C), a significant deactivation was observed, which can be tentatively traced back to a ligand rearrangement in the presence of AlEt(3). After a fast initial phase, a pronounced 'kink' in the ethylene-uptake curve is observed, followed by a slow, almost linear, further increase of the total ethylene consumption. The catalyst composition, in particular the ligand/chromium and the cocatalyst/chromium molar ratio, has a strong impact on the catalytic performance of the trimerization of ethylene. PMID:20512824
Pavlovitchev, A.M.
2000-03-08
The present work is a part of Joint U.S./Russian Project with Weapons-Grade Plutonium Disposition in VVER Reactor and presents the neutronics calculations of kinetics parameters of VVER-1000 core with 3 introduced MOX LTAs. MOX LTA design has been studied in [1] for two options of MOX LTA: 100% plutonium and of ''island'' type. As a result, zoning i.e. fissile plutonium enrichments in different plutonium zones, has been defined. VVER-1000 core with 3 introduced MOX LTAs of chosen design has been calculated in [2]. In present work, the neutronics data for transient analysis codes (RELAP [3]) has been obtained using the codes chain of RRC ''Kurchatov Institute'' [5] that is to be used for exploitation neutronics calculations of VVER. Nowadays the 3D assembly-by-assembly code BIPR-7A and 2D pin-by-pin code PERMAK-A, both with the neutronics constants prepared by the cell code TVS-M, are the base elements of this chain. It should be reminded that in [6] TVS-M was used only for the constants calculations of MOX FAs. In current calculations the code TVS-M has been used both for UOX and MOX fuel constants. Besides, the volume of presented information has been increased and additional explications have been included. The results for the reference uranium core [4] are presented in Chapter 2. The results for the core with 3 MOX LTAs are presented in Chapter 3. The conservatism that is connected with neutronics parameters and that must be taken into account during transient analysis calculations, is discussed in Chapter 4. The conservative parameters values are considered to be used in 1-point core kinetics models of accident analysis codes.
Gasification is generally considered as the most effective for low rank coal exploitation and CO2 gasification offers the advantage of upgrading an environmentally detrimental gas. Isothermal CO2 gasification tests of Greek low rank coal were performed in a tubular fixed bed reactor, to study the effect of the various reaction conditions. Greek lignite was quite reactive with CO2, resulting in high conversions even at short reaction times, while the obtained chars remained reactive after devolatilisation, as the continuous increase of conversion indicated. Conversion was very sensitive to temperature due to both pyrolysis and C–CO2 reactions, and for the granulometries studied (up to 1000 μm) the gasification rate was independent of particle size. CO2 partial pressure affected the gasification rate at low CO2 partial pressures, since the reactivity of lignite remained high (conversion ∼85% w/w daf) even for 0.25 atm CO2 partial pressure. The presence of CO retarded the reaction and the gasification rate decreased rapidly as the concentration of CO increased. The first order Volume Reaction Model (VMR) adopted was proven quite effective in describing the experimental results. Experimental results showed that the activation energy (E) varied with time, passing through a wide maximum between 10 and 15 min. The pre-exponential factor (k0) follows the behaviour of the activation energy, however, it exhibits a more sharp maximum at the same time region. The variations of the kinetic parameters with time could be attributed to the different nature of carbon atoms gasified and the changes of the number of active collisions, as the gasification reaction proceeds. As the gasification reaction advanced the Arrhenius parameters (E and k0) increased or decreased simultaneously, exhibiting a compensation effect. The probability density function (pdf) of the Weibull distribution was employed successfully to depict the variations of the kinetic parameters, E and k0.
The present work is a part of Joint U.S./Russian Project with Weapons-Grade Plutonium Disposition in VVER Reactor and presents the neutronics calculations of kinetics parameters of VVER-1000 core with 3 introduced MOX LTAs. MOX LTA design has been studied in [1] for two options of MOX LTA: 100% plutonium and of ''island'' type. As a result, zoning i.e. fissile plutonium enrichments in different plutonium zones, has been defined. VVER-1000 core with 3 introduced MOX LTAs of chosen design has been calculated in [2]. In present work, the neutronics data for transient analysis codes (RELAP [3]) has been obtained using the codes chain of RRC ''Kurchatov Institute'' [5] that is to be used for exploitation neutronics calculations of VVER. Nowadays the 3D assembly-by-assembly code BIPR-7A and 2D pin-by-pin code PERMAK-A, both with the neutronics constants prepared by the cell code TVS-M, are the base elements of this chain. It should be reminded that in [6] TVS-M was used only for the constants calculations of MOX FAs. In current calculations the code TVS-M has been used both for UOX and MOX fuel constants. Besides, the volume of presented information has been increased and additional explications have been included. The results for the reference uranium core [4] are presented in Chapter 2. The results for the core with 3 MOX LTAs are presented in Chapter 3. The conservatism that is connected with neutronics parameters and that must be taken into account during transient analysis calculations, is discussed in Chapter 4. The conservative parameters values are considered to be used in 1-point core kinetics models of accident analysis codes
Reed, Lloyd F; Urry, Stephen R; Wearing, Scott C
2013-01-01
Background Despite the emerging use of treadmills integrated with pressure platforms as outcome tools in both clinical and research settings, published evidence regarding the measurement properties of these new systems is limited. This study evaluated the within– and between–day repeatability of spatial, temporal and vertical ground reaction force parameters measured by a treadmill system instrumented with a capacitance–based pressure platform. Methods Thirty three healthy adults (mean age, 2...
Orbán, Csaba; Pérez-García, Esther; Bajnok, Anna; McBean, Gethin; Toldi, Gergely; Blanco-Fernandez, Alfonso
2016-05-01
Nanosecond pulsed electric field (nsPEF) is a novel method to increase cell proliferation rate. The phenomenon is based on the microporation of cellular organelles and membranes. However, we have limited information on the effects of nsPEF on cell physiology. Several studies have attempted to describe the effects of this process, however no real time measurements have been conducted to date. In this study we designed a model system which allows the measurement of cellular processes before, during and after nsPEF treatment in real time. The system employs a Vabrema Mitoplicator(TM) nsPEF field generating instrument connected to a BD Accuri C6 cytometer with a silicon tube led through a peristaltic pump. This model system was applied to observe the effects of nsPEF in mammalian C6 glioblastoma (C6 glioma) and HEK-293 cell lines. Viability (using DRAQ7 dye), intracellular calcium levels (using Fluo-4 dye) and scatter characteristics were measured in a kinetic manner. Data were analyzed using the FACSKin software. The viability and morphology of the investigated cells was not altered upon nsPEF treatment. The response of HEK-293 cells to ionomycin as positive control was significantly lower in the nsPEF treated samples compared to non-treated cells. This difference was not observed in C6 cells. FSC and SSC values were not altered significantly by the nsPEF treatment. Our results indicate that this model system is capable of reliably investigating the effects of nsPEF on cellular processes in real time. © 2016 International Society for Advancement of Cytometry. PMID:26990601
Mainz Organics Mechanism (MOM): description and sensitivity to some estimated kinetic parameters
Taraborrelli, Domenico; Cabrera Perez, David; Sander, Rolf; Pozzer, Andrea
2015-04-01
Despite decades of reasearch, global atmospheric chemistry models still have significant biases compared to the estimated distribution and evolution of tropospheric ozone and hydroxyl radical. The gas-phase oxidation of volatile organic compounds (VOC) is acknowledged to play an important role among the processes affecting tropospheric ozone, methane lifetime and aerosol evolution. Thus, chemical mechanisms of very diverse complexity have been developed for the major VOCs. However, all mechanisms present shortcomings such as neglection or lumping of intermediates and estimate of many rate constants and product distributions. Here, we present a VOC oxidation mechanism of intermediate complexity called the Mainz Organics Mechanism (MOM). With about 400 species and 1500 reactions, it represents the oxidation of about 20 primarily emitted VOCs comprising small alkanes and alkenes, isoprene, pinenes and monocyclic aromatic compounds. The development protocol significantly borrows from the Master Chemical Mechanism (MCM). However, MOM distinguishes itself for a number of features. First, the structure activity relationship for estimating the rate constants involving hydroxyl radical is site-specific and dependent on temperature. Second, the alkyl nitrate yields are considered to be dependent on temperature, pressure and molecular structure. RO2 + HO2 reaction kinetics is consistent with the recent direct studies of \\chem{OH}-reformation. Isoprene chemistry includes the latest experimental advancements with respect to OH-recycling and alkyl nitrate chemistry. Pinenes chemistry is largely the one by the MCM but with some modifications according to the work of the Leuven's group. Finally, the chemistry of the aromatics is also borrowed from the MCM but with additional photolysis of ortho-nitrophenols leading to \\chem{HONO} formation. The sensitivity of the model to the temperature and pressure dependence of estimated \\chem{OH} rate constants and alkyl nitrate yields will
Particle Size Effect on TL Emission of ZnS Nanoparticles and Determination of Its Kinetic Parameters
L. Robindro Singh
2012-01-01
Full Text Available Nanoparticles have large surface area, and most of the ions are lying on its surface. Could these surface ions be contributed in thermoluminescence emission or enhanced nonradiative transition? In view of this, we have prepared small sizes of ZnS nanoparticles at low temperature and made two samples, one as-prepared (size ~3 nm and the other heat-treated at 1073 K (size ~32 nm. Characterization of the samples shows that the prepared phosphors are pure. Thermoluminescence (TL glow curves could not be recorded in both samples without irradiation. Even for higher dose of γ-radiation the as-prepared samples could not show TL signal, but 1073 K heat-treated sample shows the TL signal. This may be due to the fact that smaller particles have large surface area compared to bigger particles, the surface ions may produce the nonradiative transitions. The kinetic parameters of the TL glow curves are evaluated by the conventional methods and compared with curve fitting computerised glow curve deconvolution (CGCD technique. The variations in both techniques are found only ±0.02. The shape factor of all the glow curves ~0.48, and these TL glow curves could be fitted with order of kinetics 1.5.
Kinetic parameters of γ-irradiated Y2O3 phosphors: Effect of doping/codoping and heating rate
This paper reports the thermoluminescence characteristics of Yb doped and Yb/RE3+ (RE=Eu, Tb) codoped Y2O3 phosphors under γ-irradiations. The phosphors were prepared by combustion synthesis method and characterized by X-ray diffraction (XRD) and Thermoluminescence (TL) techniques. XRD studies confirm the body-centered cubic structure of the phosphors. TL glow curves of doped and codoped phosphors exhibit single broad peak. Codoping with rare earth ions influences the glow peak temperature and intensity drastically. Intensity of the glow peak increases linearly in the studied γ-dose range. Kinetic parameters such as order of kinetics, trap depth and frequency factor associated with the glow peak were calculated by various glow curve methods. - Highlights: • In this paper, the effects of doping/codoping and heating rates are reported. • Codoping with Eu3+ ions is more effective compared to Tb3+ ions for TL sensitivity. • Modification/rearrangement of trap levels after codoping were observed. • Increase in trap depth/frequency factor after codoping was observed
Helbling, Damian E; Johnson, David R; Honti, Mark; Fenner, Kathrin
2012-10-01
The objective of this work was to identify relevant wastewater treatment plant (WWTP) parameters and underlying microbial processes that influence the biotransformation of a diverse set of micropollutants. To do this, we determined biotransformation rate constants for ten organic micropollutants in batch reactors seeded with activated sludge from ten diverse WWTPs. The estimated biotransformation rate constants for each compound ranged between one and four orders of magnitude among the ten WWTPs. The biotransformation rate constants were tested for statistical associations with various WWTP process parameters, amoA transcript abundance, and acetylene-inhibited monooxygenase activity. We determined that (i) ammonia removal associates with oxidative micropollutant biotransformation reaction rates; (ii) archaeal but not bacterial amoA transcripts associate with both ammonia removal and oxidative micropollutant biotransformation reaction rates; and (iii) the activity of acetylene-inhibited monooxygenases (including ammonia monooxygenase) associates with ammonia removal and the biotransformation rate of isoproturon, but does not associate with all oxidative micropollutant biotransformations. In combination, these results lead to the conclusion that ammonia removal and amoA transcript abundance can potentially be predictors of oxidative micropollutant biotransformation reactions, but that the biochemical mechanism is not necessarily linked to ammonia monooxygenase activity. PMID:22938719
Zarghami, V.; Mohammadi, M. R.; Fray, D. J.
2012-11-01
The morphological manipulation, structural characterization, and optical properties of different cadmium selenide (CdSe) nanostructures are reported. Two different CdSe nanostructures, i.e., nanorods and nanoparticles, were grown by controlling the concentration of precursors (i.e., cadmium nitrate and selenium dioxide) in ethanolamine solvent. By manipulating the kinetic parameter of the process (i.e., growth rate) under constant growth driving force (i.e., degree of supersaturation), the morphology of CdSe nanostructures can be tailored from nanorods to nanoparticles. The optical properties of CdSe nanostructures were investigated using ultraviolet-visible (UV-vis) spectroscopy. The absorption edge of the samples showed a blue-shift. CdSe nanostructures prepared under optimized conditions showed good microstructural and optical properties for solar cell applications.
The objective of the present work was to establish pharmacokinetic parameters of the C Mitomycin (MMC) in vivo, comparing its kinetics of induction of polychromatic micro nucleate erythrocytes (EPGMN) with that of the gamma radiation. The used doses were of 0.75; 1.5 and 3. 0 μmoles/kg of MMC. It was observed that the MMC produces MN in the first cycle of cellular division and it is independent of the cytotoxic effect. This agent requires of a relatively long period of latency that is not compatible with her great reactivity, for what the pharmacokinetic values obtained in fact reflect the time that takes the processing of leisure in the DNA and the subsequent induction of ruptures that produce MN. (Author)
de Hoyo, Moisés; Sañudo, Borja; Carrasco, Luis; Mateo-Cortes, Jesús; Domínguez-Cobo, Sergio; Fernandes, Orlando; Del Ojo, Juan J; Gonzalo-Skok, Oliver
2016-07-01
The aim of the current study was to analyse the effect of 10-week eccentric overload training on kinetic parameters during change of direction (COD) in U-19 football players. The outcome measured included relative peak braking (rPB) and propulsive force (rPF), contact time (CT), time spent during braking (BT) and propulsive phase (PT), relative total (rTOT_IMP), braking (rB_IMP) and propulsive (rP_IMP) impulses. Between-group results showed a substantial better improvement (likely) in CT (ES: 0.72) and BT (ES: 0.74) during side-step cutting, and in rPB (ES: 0.84) and rB_IMP (ES: 0.72) during crossover cutting, in the experimental group (EXP) in comparison to control group (CON). Within-group analysis showed a substantially better performance (likely to almost certain) in CT (ES: 1.19), BT (ES: 1.24), PT (ES: 0.70), rPB (ES: 0.75), rPF (ES: 0.68), rTOT_IMP (ES: 0.48) and rB_IMP (ES: 0.50) in EXP during side-step cutting. Regarding crossover cutting, within-group analysis showed a substantial better performance (likely to almost certain) in CT (ES: 0.75), rPB (ES: 0.75), rPF (ES: 1.34), rTOT_IMP (ES: 0.61), rB_IMP (ES: 0.76) and rP_IMP (ES: 0.46) in EXP. In conclusion, the eccentric overload-based programme led to an improvement in kinetic parameters during COD football tasks. PMID:26963941
Gaonkar, Amita; Murudkar, Vrishali; Deshpande, V. D.
2016-05-01
Polyethylene terephthalate (PET) and Nucleated PET/ multi-walled carbon nanotubes (MWCNTs) nanocomposites with different MWCNTs loadings were prepared by melt compounding. The influence of the addition of MWCNTs and precipitated PET (p-PET) on the morphology and thermal properties of the nanocomposites was investigated. From Transmission Electronic Microscopy (TEM) and Wide angle X-Ray diffraction (WAXD) study, it can be clearly seen that nanocomposites with low MWCNTs contents (0.1 wt. %) get better MWCNTs dispersion than higher MWCNT loading. Comparing with PET, nucleated PET nanocomposite with 0.1% MWCNT loading shows higher value of Lauritzen-Hoffman parameters U* and Kg evaluated using the differential isoconversional method. Crystallization regime transition temperature range shifts to higher temperature (208°C - 215°C) for nanocomposites. The presence of p-PET in addition of MWCNT, which act as good nucleating agent, enhanced the crystallization of PET through heterogeneous nucleation.
Dosimetric and kinetic parameters of lithium cadmium borate glasses doped with rare earth ions
J. Anjaiah
2014-10-01
Full Text Available Thermoluminescence (TL characteristics of X-ray irradiated pure and doped with four different rare earth ions (viz., Pr3+, Nd3+, Sm3+ and Eu3+ Li2O–Cdo–B2O3 glasses have been studied in the temperature range 303–573 K; the pure glass has exhibited single TL peak at 466 K. When this glass is doped with different rare earth ions no additional peaks are observed but the glow peak temperature of the existing glow peak shifted gradually towards higher temperatures with gain in intensity of TL light output. The area under the glow curve is found to be maximum for Eu3+ doped glasses. The trap depth parameters associated with the observed TL peaks have been evaluated using Chen's formulae. The possible use of these glasses in radiation dosimetry has been described. The result clearly showed that europium doped cadmium borate glass has a potential to be considered as the thermoluminescence dosimeter.
Drüen, S; Böddeker, J; Meyer-Lindenberg, A; Fehr, M; Nolte, I; Wefstaedt, P
2012-01-01
To date it is unclear whether cementless total hip replacement (THR) in dogs is of clinical advantage in comparison to cemented THR with regard to lameness improvement. Thus the aim of this study was to compare objectively the development of the gait pattern after cemented and cementless THR in dogs. For this purpose, 18 adult dogs with hip dysplasia underwent computer-based gait analysis on an instrumented treadmill prior to unilateral THR and then again ten days, four weeks and four months after surgery. Analysed kinetic parameters were symmetry indices (SI) of vertical ground reaction forces (GRF), which included peak vertical forces (PFz), mean vertical forces (MFz), vertical impulse (IFz), and vertical ground reaction forces of the arthroplasty limbs only. Analysed kinematic parameters were range-of-motion and the flexion and extension angles of hip, stifle and hock joints. The symmetry indice for PVF, MFz and IFz decreased to a value less than six in both THR groups four months after surgery, which is defined as not lame. Improvement in lameness of the arthroplasty limbs during the examination period of four months was not significantly different between the cemented and cementless groups. The results suggest that within a short-term observation period of four months after surgery, neither cementless nor cemented THR have a greater advantage with regard to lameness improvement. Additional studies with larger pools of subjects and longer time periods for follow-up examinations are necessary to verify these findings. PMID:22828804
Raposo, Maria, E-mail: mfr@fct.unl.pt; Monteiro Timóteo, Ana Rita; Ribeiro, Paulo A. [CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, UNL, Campus de Caparica, 2829-516 Caparica (Portugal); Ferreira, Quirina [CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, UNL, Campus de Caparica, 2829-516 Caparica (Portugal); Instituto de Telecomunicações, Instituto Superior Técnico, University of Lisbon, Av. Rovisco Pais, P-1049-001 Lisboa (Portugal); Botelho do Rego, Ana Maria [Centro de Química-Física Molecular and IN, Complexo Interdisciplinar, Instituto Superior Técnico, University of Lisbon, 1049-001 Lisboa (Portugal)
2015-09-21
Photo induced birefringent materials can be used to develop optical and conversion energy devices, and consequently, the study of the variables that influences the creation and relaxation of birefringence should be carefully analyzed. In this work, the parameters of birefringence creation and relaxation kinetics curves obtained on layer-by-layer (LBL) films, prepared from azo-polyectrolyte poly[1-[4-(3-carboxy-4 hydroxyphenylazo) benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) and poly(allylamine hydrochloride)(PAH), are related with the presence of counterions and the degree of ionization of the polyelectrolytes. Those kinetics curves obtained on PAH/PAZO LBL films, prepared from PAH solutions with different pHs and maintaining the pH of PAZO solution constant at pH = 9, were analyzed taking into account the films composition which was characterized by X-ray photoelectron spectroscopy. The creation and relaxation birefringence curves are justified by two processes: one associated to local mobility of the azobenzene with a characteristic time 30 s and intensity constant and other associated with polymeric chains mobility with the characteristic time and intensity decreasing with pH. These results allow us to conclude that the birefringence creation process, associated to local mobility of azobenzenes is independent of the degree of ionization and of number of counterions or co-ions present while the birefringence creation process associated to mobility of chains have its characteristic time and intensity dependent of both degree of ionization and number of counterions. The birefringence relaxation processes are dependent of the degree of ionization. The analysis of the films composition revealed, in addition, the presence of a protonated secondary or tertiary amine revealing that PAZO may have positive charges and consequently a zwitterionic behavior.
Raposo, Maria; Ferreira, Quirina; Monteiro Timóteo, Ana Rita; Ribeiro, Paulo A.; do Rego, Ana Maria Botelho
2015-09-01
Photo induced birefringent materials can be used to develop optical and conversion energy devices, and consequently, the study of the variables that influences the creation and relaxation of birefringence should be carefully analyzed. In this work, the parameters of birefringence creation and relaxation kinetics curves obtained on layer-by-layer (LBL) films, prepared from azo-polyectrolyte poly[1-[4-(3-carboxy-4 hydroxyphenylazo) benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) and poly(allylamine hydrochloride)(PAH), are related with the presence of counterions and the degree of ionization of the polyelectrolytes. Those kinetics curves obtained on PAH/PAZO LBL films, prepared from PAH solutions with different pHs and maintaining the pH of PAZO solution constant at pH = 9, were analyzed taking into account the films composition which was characterized by X-ray photoelectron spectroscopy. The creation and relaxation birefringence curves are justified by two processes: one associated to local mobility of the azobenzene with a characteristic time 30 s and intensity constant and other associated with polymeric chains mobility with the characteristic time and intensity decreasing with pH. These results allow us to conclude that the birefringence creation process, associated to local mobility of azobenzenes is independent of the degree of ionization and of number of counterions or co-ions present while the birefringence creation process associated to mobility of chains have its characteristic time and intensity dependent of both degree of ionization and number of counterions. The birefringence relaxation processes are dependent of the degree of ionization. The analysis of the films composition revealed, in addition, the presence of a protonated secondary or tertiary amine revealing that PAZO may have positive charges and consequently a zwitterionic behavior.
Bunting, Bruce G [ORNL
2012-10-01
The automotive and engine industries are in a period of very rapid change being driven by new emission standards, new types of after treatment, new combustion strategies, the introduction of new fuels, and drive for increased fuel economy and efficiency. The rapid pace of these changes has put more pressure on the need for modeling of engine combustion and performance, in order to shorten product design and introduction cycles. New combustion strategies include homogeneous charge compression ignition (HCCI), partial-premixed combustion compression ignition (PCCI), and dilute low temperature combustion which are being developed for lower emissions and improved fuel economy. New fuels include bio-fuels such as ethanol or bio-diesel, drop-in bio-derived fuels and those derived from new crude oil sources such as gas-to-liquids, coal-to-liquids, oil sands, oil shale, and wet natural gas. Kinetic modeling of the combustion process for these new combustion regimes and fuels is necessary in order to allow modeling and performance assessment for engine design purposes. In this research covered by this CRADA, ORNL developed and supplied experimental data related to engine performance with new fuels and new combustion strategies along with interpretation and analysis of such data and consulting to Reaction Design, Inc. (RD). RD performed additional analysis of this data in order to extract important parameters and to confirm engine and kinetic models. The data generated was generally published to make it available to the engine and automotive design communities and also to the Reaction Design Model Fuels Consortium (MFC).
Photo induced birefringent materials can be used to develop optical and conversion energy devices, and consequently, the study of the variables that influences the creation and relaxation of birefringence should be carefully analyzed. In this work, the parameters of birefringence creation and relaxation kinetics curves obtained on layer-by-layer (LBL) films, prepared from azo-polyectrolyte poly[1-[4-(3-carboxy-4 hydroxyphenylazo) benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) and poly(allylamine hydrochloride)(PAH), are related with the presence of counterions and the degree of ionization of the polyelectrolytes. Those kinetics curves obtained on PAH/PAZO LBL films, prepared from PAH solutions with different pHs and maintaining the pH of PAZO solution constant at pH = 9, were analyzed taking into account the films composition which was characterized by X-ray photoelectron spectroscopy. The creation and relaxation birefringence curves are justified by two processes: one associated to local mobility of the azobenzene with a characteristic time 30 s and intensity constant and other associated with polymeric chains mobility with the characteristic time and intensity decreasing with pH. These results allow us to conclude that the birefringence creation process, associated to local mobility of azobenzenes is independent of the degree of ionization and of number of counterions or co-ions present while the birefringence creation process associated to mobility of chains have its characteristic time and intensity dependent of both degree of ionization and number of counterions. The birefringence relaxation processes are dependent of the degree of ionization. The analysis of the films composition revealed, in addition, the presence of a protonated secondary or tertiary amine revealing that PAZO may have positive charges and consequently a zwitterionic behavior
Highlights: • The sugarcane bagasse powder has better energy value compared to the cotton stalks. • Bagasse moisture is entrained in its cell walls and its evaporation needs more energy. • The cotton stalks is more reactive and readily combustible than the bagasse powders. • A lower E and A0 has been found for bagasse compared with cotton stalks powders. • Calculated E of bagasse and cotton stalks by direct and integral methods are different. - Abstract: The kinetics of the thermal decomposition of the two biomass materials (sugarcane bagasse and cotton stalks powders) were evaluated using a differential thermo-gravimetric analyzer under a non-isothermal condition. Two distinct reaction zones were observed for the two biomasses. The direct Arrhenius plot method and the integral method were applied for determination of kinetic parameters: activation energy, pre-exponential factor, and order of reaction. The weight loss curve showed that pyrolysis of sugarcane bagasse and cotton stalks took place mainly in the range of 200–500 °C. The activation energy of the sugarcane bagasse powder obtained by the direct Arrhenius plot method ranged between 43 and 53.5 kJ/mol. On the other side, the integral method shows larger values of activation energy (77–87.7 kJ/mol). The activation energy of the cotton stalks powder obtained by the direct Arrhenius plot method was ranged between 98.5 and 100.2 kJ/mol, but the integral method shows larger values of activation energy (72.5–127.8 kJ/mol)
Purpose: Regions of poor perfusion within tumors may be associated with higher hypoxic levels. This study aimed to test this hypothesis by comparing measurements of hypoxia from Cu-ATSM PET to vasculature kinetic parameters from DCE-CT kinetic analysis. Methods: Ten canine patients with sinonasal tumors received one Cu-ATSM PET/CT scan and three DCE-CT scans prior to treatment. Cu-ATSM PET/CT and DCE-CT scans were registered and resampled to matching voxel dimensions. Kinetic analysis was performed on DCE-CT scans and for each patient, the resulting kinetic parameter values from the three DCE-CT scans were averaged together. Cu-ATSM SUVs were spatially correlated (rspatial) on a voxel-to-voxel basis against the following DCE-CT kinetic parameters: transit time (t1), blood flow (F), vasculature fraction (v1), and permeability (PS). In addition, whole-tumor comparisons were performed by correlating (rROI) the mean Cu-ATSM SUV (SUVmean) with median kinetic parameter values. Results: The spatial correlations (rspatial) were poor and ranged from -0.04 to 0.21 for all kinetic parameters. These low spatial correlations may be due to high variability in the DCE-CT kinetic parameter voxel values between scans. In our hypothesis, t1 was expected to have a positive correlation, while F was expected to have a negative correlation to hypoxia. However, in wholetumor analysis the opposite was found for both t1 (rROI = -0.25) and F (rROI = 0.56). PS and v1 may depict angiogenic responses to hypoxia and found positive correlations to Cu-ATSM SUV for PS (rROI = 0.41), and v1 (rROI = 0.57). Conclusion: Low spatial correlations were found between Cu-ATSM uptake and DCE-CT vasculature parameters, implying that poor perfusion is not associated with higher hypoxic regions. Across patients, the most hypoxic tumors tended to have higher blood flow values, which is contrary to our initial hypothesis. Funding: R01 CA136927
La Fontaine, M; Bradshaw, T [University of Wisconsin, Madison, Wisconsin (United States); Kubicek, L [University of Florida, Gainesville, Florida (United States); Forrest, L [University of Wisconsin-Madison, Madison, Wisconsin (United States); Jeraj, R [University of Wisconsin, Madison, WI (United States)
2014-06-15
Purpose: Regions of poor perfusion within tumors may be associated with higher hypoxic levels. This study aimed to test this hypothesis by comparing measurements of hypoxia from Cu-ATSM PET to vasculature kinetic parameters from DCE-CT kinetic analysis. Methods: Ten canine patients with sinonasal tumors received one Cu-ATSM PET/CT scan and three DCE-CT scans prior to treatment. Cu-ATSM PET/CT and DCE-CT scans were registered and resampled to matching voxel dimensions. Kinetic analysis was performed on DCE-CT scans and for each patient, the resulting kinetic parameter values from the three DCE-CT scans were averaged together. Cu-ATSM SUVs were spatially correlated (r{sub spatial}) on a voxel-to-voxel basis against the following DCE-CT kinetic parameters: transit time (t{sub 1}), blood flow (F), vasculature fraction (v{sub 1}), and permeability (PS). In addition, whole-tumor comparisons were performed by correlating (r{sub ROI}) the mean Cu-ATSM SUV (SUV{sub mean}) with median kinetic parameter values. Results: The spatial correlations (r{sub spatial}) were poor and ranged from -0.04 to 0.21 for all kinetic parameters. These low spatial correlations may be due to high variability in the DCE-CT kinetic parameter voxel values between scans. In our hypothesis, t{sub 1} was expected to have a positive correlation, while F was expected to have a negative correlation to hypoxia. However, in wholetumor analysis the opposite was found for both t{sub 1} (r{sub ROI} = -0.25) and F (r{sub ROI} = 0.56). PS and v{sub 1} may depict angiogenic responses to hypoxia and found positive correlations to Cu-ATSM SUV for PS (r{sub ROI} = 0.41), and v{sub 1} (r{sub ROI} = 0.57). Conclusion: Low spatial correlations were found between Cu-ATSM uptake and DCE-CT vasculature parameters, implying that poor perfusion is not associated with higher hypoxic regions. Across patients, the most hypoxic tumors tended to have higher blood flow values, which is contrary to our initial hypothesis. Funding
This paper investigates the reactivity of elemental carbon films deposited from the vapor phase with Fe and Ni substrates at room temperature. X-ray photoelectron spectroscopy (XPS) measurements are presented as a method for evaluating kinetic reaction data. Carbon films are deposited on different surface orientations representing geometries from a dense atom packing as in fcc (111) to an open surface structure as in fcc (100). During annealing experiments several reactions are observed (carbon subsurface diffusion, carbide formation, carbide decomposition, and graphite ordering). These reactions and the respective kinetic parameters are analyzed and quantified by XPS measurements performed while annealing at elevated temperatures (620-820 K). The resulting activation barriers for carbon subsurface diffusion are compared with calculated values using the density functional theory. The determined kinetic parameters are used to reproduce the thermal behavior of carbon films on nickel surfaces
DETERMINATION OF THE KINETIC PARAMETERS OF OXY-FUEL COMBUSTION OF COAL WITH A HIGH ASH CONTENT
K. G. P. Nunes
2015-03-01
Full Text Available Abstract The aim of this study was to determine the kinetic parameters of the oxy-fuel combustion of char from a Brazilian bituminous coal with a high ash content. The char, with a particle diameter of 715 μm, was prepared in a N2 atmosphere at 1173 K. The oxy-fuel combustion assays were performed using a thermobalance at different temperatures and O2/CO2 gas mixtures of different concentrations. According to the unreacted core model, the process is determined by chemical reaction at low temperatures, with an activation energy of 56.7 kJ.kmol-1, a reaction order of 0.5 at 973 K and a reaction order of 0.7 overall. The use of the continuous reaction model did not provide a good fit for the experimental data because the consumption of the particles during the reaction was not constant, as predicted by the model. According to the Langmuir-Hinshelwood model, the activation energy for the first step was 37.3 kJ.kmol-1.
Lithium potassium borate (LKB) glasses co-doped with TiO2 and MgO were prepared using the melt quenching technique. The glasses were cut into transparent chips and exposed to gamma rays of 60Co to study their thermoluminescence (TL) properties. The TL glow curve of the Ti-doped material featured a single prominent peak at 230 °C. Additional incorporation of MgO as a co-activator enhanced the TL intensity threefold. LKB:Ti,Mg is a low-Z material (Zeff=8.89) with slow signal fading. Its radiation sensitivity is 12 times lower that the sensitivity of TLD-100. The dose response is linear at doses up to 103 Gy. The trap parameters, such as the kinetics order, activation energy, and frequency factor, which are related to the glow peak, were determined using TolAnal software. - Highlights: • Lithium potassium borate glass doped with Ti and Mg was prepared. • The material is close to soft tissues in terms of Zeff. • The radiation sensitivity is about 12 times lower than that of TLD-100. • The signal fades about 8% in 10 days and 17% in 3 months
In the framework of the European 5FP MUSE measurements are performed to investigate the neutronic behavior of the fast subcritical core MASURCA coupled with the GENEPI accelerator. The aim is to examine the applicability of different techniques for the determination of the main kinetic parameters characterizing the assembly such as the delayed neutron fraction, the mean neutron lifetime and the reactivity (expressed in dollars). When applying the pulsed neutron source analysis, the reactivity (in dollars) together with the ratio of the mean neutron lifetime l and the effective delayed neutron fraction βeff is derived. Although these first results are very promising, further measurements are needed to qualify the method at larger subcritical levels which are representative for future ADS. From Rossi-alpha distributions, recorded with the pulsed neutron source in operation, the α decay constant was easily derived due to good statistics on the correlated signal resulting from the strong intensity of the neutron pulse. These measurements also pointed out that one should avoid locating the detectors in the shielding where neutron thermalization will perturb the measurements. The measurement of Rossi-alpha distributions, recorded with the accelerator turned off, showed that the analysis of the obtained distributions is still feasible for deep subcritical levels where deteriorated statistics occur. A more elaborated measurement campaign is scheduled in the following year to more thoroughly answer the applicability issue of the different measurement techniques for ADS. (author)
Hartogensis, O.K.; Debruin, H.A.R.
2005-01-01
The Monin-Obukhov similarity theory (MOST) functions fepsi; and fT, of the dissipation rate of turbulent kinetic energy (TKE), ¿, and the structure parameter of temperature, CT2, were determined for the stable atmospheric surface layer using data gathered in the context of CASES-99. These data cover
Aline B. Denis
2016-01-01
Full Text Available This study aimed to analyze the kinetic parameters of two monomers using attenuated total reflectance Fourier transform infrared (ATR-FTIR: 2,2-bis-[4-(2-hydroxy-3-methacryloxypropyl-1-oxy-phenyl] propane (Bis-GMA and triethylene glycol dimethacrylate (TEGDMA. The following were calculated to evaluate the kinetic parameters: maximum conversion rate (Rpmax, time at the maximum polymerization rate (tmax, conversion at Rpmax, and total conversion recorded at the maximum conversion point after 300 s. Camphorquinone (CQ and phenyl propanedione (PPD were used in this study as photoinitiators, whereas N,N-dimethyl-p-toluidine (DMPT amine was used as a coinitiator. LED apparatus and halogen lamp were used in turn to evaluate the effect that light source had on the monomer kinetics. The mass concentration ratio for the three resin preparations was 0.7 : 0.3 for Bis-GMA and TEGDMA: R1 (CQ + DMPT, R2 (PPD + DMPT, and R3 (PPD + CQ + DMPT. The PPD association with the CQ photoinitiator altered the polymerization kinetics compared to a resin containing only the CQ photoinitiator. The light sources exhibited no significant differences for tmax of R1 and R3. Resins containing only the PPD initiator exhibited a higher tmax than those containing only CQ. However, the Rpmax decreased for resins containing the PPD photoinitiator.
Sepulveda M, F. [ESFM-IPN, 07738 Mexico D.F. (Mexico); Azorin N, J.; Rivera M, T. [UAM-I, 09340 Mexico D.F. (Mexico); Furetta, C.; Sanipoli, C. [Physics Department, Universita di Roma ' ' La Sapienza' ' , Piazzale A. Moro 2, 00185 Roma (Italy)
2004-07-01
The thermoluminescent curves induced by the beta radiation in the perovskite KMgF{sub 3} were investigated activated with lanthanum. The classic methods were used to determine the kinetic parameters (the kinetic order b, the activation energy E and the frequency of escape intent s) associated with the peaks of the thermoluminescent curve (Tl) in the KMgF{sub 3} activated with lanthanum after the irradiation with beta rays. The method is based on the position of the thermoluminescent peaks, obtained of the temperature change of the peak in the maximum emission caused by the change in the heating rapidity to which the samples were measured. In this work, the samples in form of pellets were re cooked previously at 400 C during one hour before irradiating them with beta particles. The Tl measures were made with a Tl reader system using three different heating rapidities and storing the glow curves. To calculate the depth of the E traps and the frequency factor s, the parameters of the glow curve were determined experimentally of the shame of the glow curve by means of the mensuration of the shame of the maximum temperature of the peak, T{sub M} like a function of the heating rapidity. The results indicate that the values of the kinetic parameters are very near among if when they are obtained indistinctly of anyone of the different methods. (Author)
A method has been developed for deriving the evolution equation with time of the volume fraction crystallized, for integrating the above-mentioned equation under non-isothermal conditions, and for deriving the kinetic parameters of the glass-crystal transformations in solid systems involving the formation and growth nuclei. By means of this method, and considering the assumptions of extended volume and random nucleation, a general expression of the fraction crystallized has been obtained as a function of the time. This equation has been integrated under continuous-heating regime and assuming an Arrhenian temperature dependence of the nucleation frequency and of the crystal growth rate, thus obtaining the volume fraction transformed as a function of temperature, in terms of the heating rate, and the related exponent with the dimensionality of the crystal growth. The kinetic parameters have been deduced, obtaining the maximum crystallization rate, bearing in mind the fact that, in the non-isothermal processes the reaction rate constant is a time function through its Arrhenian temperature dependence. Finally, the theoretical expressions of the kinetic parameters have been applied to the experimental data corresponding to a set of glassy alloys, quoted in the literature, thus obtaining mean values that agreed very satisfactorily with the published data. This fact shows the reliability of the theoretical procedure developed
Highlights: • CANDU-type-lattice kinetics parameters are calculated using different adjoint-weighting approximations at different burnups. • Fine-group space-dependent adjoint weighting is the most accurate method of calculating the kinetics parameters. • Two-group lattice-homogenized adjoint weighting overestimates the effective delayed-neutron fraction by approximately 5%. • Fine-group lattice-homogenized adjoint weighting overestimates the effective delayed neutron fraction only by approximately 2%. - Abstract: Modern analysis of nuclear reactor transients uses space-time reactor kinetics methods. In the Canadian nuclear industry, safety analysis calculations use almost exclusively the Improved Quasistatic (IQS) flux factorization method. The IQS method, like all methods based on flux factorization, relies on calculating effective point kinetics parameters, which dominate the time behavior of the flux, using adjoint-weighted integrals. The accuracy of the adjoint representation influences the accuracy of the effective kinetics parameters. Routine full core calculations are not performed using detailed models and transport theory, but rather using a cell-homogenized model and two-group diffusion theory. This work evaluates the effect of homogenization and group condensation at different burnups, for three fuel types: natural-uranium (NU) fuel, low-void reactivity (LVR) fuel and Advanced CANDU Reactor (ACR) fuel. Results show that the use of a two-group lattice-homogenized adjoint consistently overestimates the effective delayed neutron fraction by approximately 5% for all three fuel types and over a wide burnup range. The use of a two-group lattice-homogenized adjoint also introduces errors in the effective neutron generation time, but these are at most 1.3% (and their sign changes with burnup). Errors tend to vary with burnup by approximately 1% (of the individual parameter value). If a 69-group lattice-homogenized adjoint is used, the errors drop to
Afolabi, Afolawemi; Akinlabi, Olakemi; Bilgili, Ecevit
2014-01-23
Wet stirred media milling has proven to be a robust process for producing nanoparticle suspensions of poorly water-soluble drugs. As the process is expensive and energy-intensive, it is important to study the breakage kinetics, which determines the cycle time and production rate for a desired fineness. Although the impact of process parameters on the properties of final product suspensions has been investigated, scant information is available regarding their impact on the breakage kinetics. Here, we elucidate the impact of stirrer speed, bead concentration, and drug loading on the breakage kinetics via a microhydrodynamic model for the bead-bead collisions. Suspensions of griseofulvin, a model poorly water-soluble drug, were prepared in the presence of two stabilizers: hydroxypropyl cellulose and sodium dodecyl sulfate. Laser diffraction, scanning electron microscopy, and rheometry were used to characterize them. Various microhydrodynamic parameters including a newly defined milling intensity factor was calculated. An increase in either the stirrer speed or the bead concentration led to an increase in the specific energy and the milling intensity factor, consequently faster breakage. On the other hand, an increase in the drug loading led to a decrease in these parameters and consequently slower breakage. While all microhydrodynamic parameters provided significant physical insight, only the milling intensity factor was capable of explaining the influence of all parameters directly through its strong correlation with the process time constant. Besides guiding process optimization, the analysis rationalizes the preparation of a single high drug-loaded batch (20% or higher) instead of multiple dilute batches. PMID:24036164
A new DYN3D library of two group diffusion and kinetics parameters for WWER 1000 has been generated. The advanced lattice code HELIOS 1.5 and its 190 group group library have been used for generation of the XS library. The new HELIOS library for DYN3D is to be used for RIA analyses for the representative equilibrium fuel cycle of WWER 1000 reactors at Kozloduy NPP. The new library has been validated by comparison with BIPR 7. In principle, the DYN3D calculated results should be compared with experimental data in order to validate the library BIPR 7 code and its KASSETA library had been adjusted using WWER 1000 experimental and measured operating data. The library has been validated by comparing its results with those calculated by the BIPR 7 code,which allows indirect comparison with experimental data. A comparison between the maximum deviations between the BIPR 7 and DYN3D code and the maximum errors of BIPR 7 for some basic neutron physical characteristics has been made. A comparison of the assembly-wise distribution by DYN3D and BIPR-7 and BIPR-7A at BOC and EOC has been made and the result has been presented. The re-criticality temperature, reactor scram efficiency, efficiency of control rod group No.10 have been calculated and illustrated. Conclusions: DYN3D underestimates the critical boric acid concentration for BOC at full power by 1.3% with 3% maximum error of BIPR-7; DYN3D underestimates the critical boric acid concentration at zero power states by about 3.1% with 6% maximum error of BIPR-7; there is no global radial tilt in the deviations of the assembly wise power distribution calculated by DYN3D and BIPR-7; the deviation in the xenon poisoning effect at BOC is 8 %, which is greater than the maximum error of 5% of BIPR-7; the temperature reactivity coefficient for start up states at BOC differs no more than 1pcm/0C with maximum error of 3 pcm/0C for BIPR-7; the difference in the re-criticality temperature by the two codes is 90C with maximum error of
Nowadays, a collaborative effort to improve the prediction accuracy of some kinetic parameters has been recommended. In special, a target accuracy of ±3% (1 s.d.) was requested for βeff calculations, in way that βeff values must be measured with an experimental error of less than 3%. In such a way, the Reactor Physics Group at IPEN/MB-01 Research Reactor has been compiled an experimental data bank of kinetic parameters, including βeff, Λ, βeff /Λ and others, based on noise analyses techniques. The implemented techniques are: Power Spectral Densities (PSD) using current-type detectors, Rossi-α and Feynman-α techniques. All these techniques provided βeff values with uncertainties within the target accuracy. In order to conclude this data bank, in this work we have been performed PSD measurements using pulse-type detectors. The main advantage of this technique is that it is possible to eliminate some electronic modules, needed in the current-mode experiments, which are sources of parasitic noises. Furthermore, this technique can explain an anomalous behavior reported in current-mode measurements, which is a non-observation of a theoretical predicted plateau above 200 Hz, approximately. Once completed, the kinetic parameters data bank should provide valuable information to determine whether or not the currently data libraries are sufficiently accurate to predict these measured parameters. Further, we intend to submit a proposal for the first international benchmark related to βeff measurements, to the International Reactor Physics Experiment Evaluation Project (IRPhEP, NEA data bank). (author)
Rafael Silva; Gizilene M. Carvalho; Muniz, Edvani C.; Adley F. Rubira
2010-01-01
The thermal degradation of miscible and immiscible poly (3-hidroxy butyrate) PHB/ poly (ethylene terephthalate) sulphonated (PETs) blends was investigated using thermogravimetric analyses. Model-free kinetic analysis, Vyazovkin and Flynn-Wall-Ozawa's methods, were used to determine the apparent activation energy in the whole interval of degradation of the pure polymers, immiscible blends, and miscible blends. The thermal stability of both polymers in their blends is higher when compared to th...
José L. Gómez
2005-01-01
Full Text Available A new method for determining the intrinsic parameters of reaction in processes involving a high initial rate has been developed. The usefulness of this alternative, which consists of determining several sets of apparent parameters at different times and then extrapolating these to time zero, is demonstrated proved by the linear dependence obtained between the apparent parameters and the reaction time. The method permitted the values of the intrinsic parameters (enzyme specific activity and Michaelis-Menten constants of both substrates to be obtained for the system under study and was checked with experimental reaction rate data for the soybean peroxidase/phenol/hydrogen peroxide system.
Owhondah, Raymond O; Walker, Mark; Ma, Lin; Nimmo, Bill; Ingham, Derek B; Poggio, Davide; Pourkashanian, Mohamed
2016-06-01
Biochemical reactions occurring during anaerobic digestion have been modelled using reaction kinetic equations such as first-order, Contois and Monod which are then combined to form mechanistic models. This work considers models which include between one and three biochemical reactions to investigate if the choice of the reaction rate equation, complexity of the model structure as well as the inclusion of inhibition plays a key role in the ability of the model to describe the methane production from the semi-continuous anaerobic digestion of green waste (GW) and food waste (FW). A parameter estimation method was used to investigate the most important phenomena influencing the biogas production process. Experimental data were used to numerically estimate the model parameters and the quality of fit was quantified. Results obtained reveal that the model structure (i.e. number of reactions, inhibition) has a much stronger influence on the quality of fit compared with the choice of kinetic rate equations. In the case of GW there was only a marginal improvement when moving from a one to two reaction model, and none with inclusion of inhibition or three reactions. However, the behaviour of FW digestion was more complex and required either a two or three reaction model with inhibition functions for both ammonia and volatile fatty acids. Parameter values for the best fitting models are given for use by other authors. PMID:26961220
Steffansen, Bente; El-Sayed, F
membrane transporters. The aim was therefore to investigate if addition of E1S to the growth medium of Caco-2 cells before but not during the influx study, change the kinetic parameters of transporter-mediated influx of taurine and glutamate by respective TAUT and EAAT transporters. The results show that 4...... days pretreatment with E1S change the concentration dependent influx curves and Km for transporter mediated taurine and Km and Jmax for glutamate influx although the effects on Km and Jmax are not significant....
Baez, William D.; Datta, Trinanjan
2010-01-01
We study the effects of next-nearest neighbor (NNN) interactions in the two-dimensional ferromagnetic kinetic Ising model exposed to an oscillating field. By tuning the interaction ratio (p = JNNN/JNN) of the NNN (JNNN) to the nearest-neighbor (NN) interaction (JNN) we find that the model undergoes a transition from a regime in which the dynamic order parameter Q is equal to zero to a phase in which Q is not equal to zero. From our studies we conclude that the model can exhibit an interaction...
The problem of parameter identification in a pontual model for a thermal reactor is dealt with using the quasilinearization technique. The model considers one group of delayed neutrons and a heavily non-linear temperature feedback in the reactivity. The parameter prompt neutron generation time and a parameter of the fuel temperatura reactivity coefficient equation are identified simultaneously, considering discrete measurements of the reactor power, during the transient produced by a change in the external reactivity. The influences of the choice of the external reactivity disturbance, of the two parameters values initial guesses, of the interval between measurements and the measurement noise level in the method accuracy and rate of convergence are analysed. For noiseless or low level noise measurements, the method proved to be very effective. (Author)
The effect of polarization rate (V = 0.2-100 mV/s) of a rotating disk-like electrode (with rotation rate v = 6000 rot/min) on kinetics of active anodic dissolution and active-passive transition of Armco iron in deaerated borate duffer solution with 7.40 pH is studied by the method of cyclic volt-amperometry. It is shown that in the whole V range studied without diffusion limitations the rate of active dissolution and formation of a primary passivating film is determined by slow electrochemical stages of electron transport, and a cyclic volt-ampere curve is a nonstationary thermodynamically nonequilibrium one. A linear growth of current at anodic maximum and a positive shift of its potential with a lg V increase are observed
Garcia-Comas, Maya; Lopez-Puertas, M.; Funke, B.; Bermejo-Pantaleon, D.; Marshall, Benjamin T.; Mertens, Christopher J.; Remsberg, Ellis E.; Mlynczak, Martin G.; Gordley, L. L.; Russell, James M.
2008-01-01
The vast set of near global and continuous atmospheric measurements made by the SABER instrument since 2002, including daytime and nighttime kinetic temperature (T(sub k)) from 20 to 105 km, is available to the scientific community. The temperature is retrieved from SABER measurements of the atmospheric 15 micron CO2 limb emission. This emission separates from local thermodynamic equilibrium (LTE) conditions in the rarefied mesosphere and thermosphere, making it necessary to consider the CO2 vibrational state non-LTE populations in the retrieval algorithm above 70 km. Those populations depend on kinetic parameters describing the rate at which energy exchange between atmospheric molecules take place, but some of these collisional rates are not well known. We consider current uncertainties in the rates of quenching of CO2 (v2 ) by N2 , O2 and O, and the CO2 (v2 ) vibrational-vibrational exchange to estimate their impact on SABER T(sub k) for different atmospheric conditions. The T(sub k) is more sensitive to the uncertainty in the latter two and their effects depend on altitude. The T(sub k) combined systematic error due to non-LTE kinetic parameters does not exceed +/- 1.5 K below 95 km and +/- 4-5 K at 100 km for most latitudes and seasons (except for polar summer) if the Tk profile does not have pronounced vertical structure. The error is +/- 3 K at 80 km, +/- 6 K at 84 km and +/- 18 K at 100 km under the less favourable polar summer conditions. For strong temperature inversion layers, the errors reach +/- 3 K at 82 km and +/- 8 K at 90 km. This particularly affects tide amplitude estimates, with errors of up to +/- 3 K.
Dill, Eric D.; Folmer, Jacob C.W.; Martin, James D. [NCSU
2013-12-05
A series of simulations was performed to enable interpretation of the material and physical significance of the parameters defined in the Kolmogorov, Johnson and Mehl, and Avrami (KJMA) rate expression commonly used to describe phase boundary controlled reactions of condensed matter. The parameters k, n, and t_{0} are shown to be highly correlated, which if unaccounted for seriously challenge mechanistic interpretation. It is demonstrated that rate measurements exhibit an intrinsic uncertainty without precise knowledge of the location and orientation of nucleation with respect to the free volume into which it grows. More significantly, it is demonstrated that the KJMA rate constant k is highly dependent on sample size. However, under the simulated conditions of slow nucleation relative to crystal growth, sample volume and sample anisotropy correction affords a means to eliminate the experimental condition dependence of the KJMA rate constant, k, producing the material-specific parameter, the velocity of the phase boundary, v_{pb}.
A glucosyltransferase, forming a predominantly al-6 linked glucan, was partially purified from the culture filtrate of S. mutans GS-5. The kinetic properties of the enzyme, assessed using the transfer of 14C glucose from sucrose into total glucan, were studied at pH values from pH 3.5 to 6.5. From the dependence of km on pH, a group with pKa = 5.5 must be protonated to maximize substrate binding. From plots of V/sub max/ vs pH two groups, with pKa's of 4.5 and 5.5 were indicated. The results suggest the involvement of either two carboxyl groups (one protonated, one unprotonated in the native enzyme) or a carboxyl group (unprotonated) and some other protonated group such as histidine, cysteine. Chemical modification studies showed that Diethylyrocarbonate (histidine specific) had no effect on enzyme activity while modification with p-phydroxy-mercuribenzoate or iodoacetic acid (sulfhydryl reactive) and carbodimide reagents (carboxyl specific) resulted in almost complete inactivation. Activity loss was dependent upon time of incubation and reagent concentration. The disaccharide lylose, (shown to be an inhibitor of the enzyme with similar affinity to sucrose) offers no protection against modification by the sulfhydryl reactive reagents
Enitan S. Balogun; John B. Durosanya; Sarafadeen O. Kareem; Abideen I. Adeogun
2012-01-01
Biosorption and bioaccumulation of Lead ions (Pb(II)) by Trichoderma longibrachiatum were investigated in a batch system. The effects of some important parameters such as pH, initial metal concentration, temperature and inoculum concerntration on biosorption capacity were also studied. The maximum biosorption capacity of Trichoderma longibrachiatum was at 25 ppm of lead, showed 100 % removal at pH 7 and 25 oC after fifteen days. Biosorption equilibrium was established in 150 minutes. The proc...
Dorado Castaño, Antonio David; Baquerizo, G.; Maestre, J P; Gamisans Noguera, Javier; Gabriel Buguña, David; Lafuente, J
2008-01-01
Biofiltration has been established as a promising alternative to conventional air pollution control technologies. However, gas biofilters modeling has been less developed than experimental research due to the complexity of describing the fundamental processes and the lack of globally accepted physical, chemical and biological parameters. In addition, biofiltration modeling based on degradation activity of fungi has been rarely considered. For this reason, in thiswork, a dynamic model de...
Wibowo, Scheling; Grauwet, Tara; Santiago, Jihan Santanina; Tomic, Jovana; Vervoort, Liesbeth; Hendrickx, Marc; Van Loey, Ann
2015-11-15
In view of understanding colour instability of pasteurised orange juice during storage, to the best of our knowledge, this study reports for the first time in a systematic and quantitative way on a range of changes in specific quality parameters as a function of time and as well as temperature (20-42 °C). A zero-order (°Brix, fructose, glucose), a first-order (vitamin C), a second-order (sucrose) and a fractional conversion model (oxygen) were selected to model the evolution of the parameters between parentheses. Activation energies ranged from 22 to 136 kJ mol(-1), HMF formation being the most temperature sensitive. High correlations were found between sugars, ascorbic acid, their degradation products (furfural and HMF) and total colour difference (ΔE(∗)). Based on PLS regression, the importance of the quality parameters for colour degradation was ranked relatively among each other: the acid-catalysed degradation of sugars and ascorbic acid degradation reactions appeared to be important for browning development in pasteurised orange juice during ambient storage. PMID:25977009
The effectiveness of the VVER-1000 reactor scram system is analyzed using ionization chamber currents with different sets of kinetic parameters with allowance for the isotopic composition in the calculation of these parameters. The most “correct, aesthetically acceptable” results are obtained using the eight-group constants of the ROSFOND (BNAB-RF) library. The difference between the maximum and minimum values of the scram system effectiveness calculated with different sets of kinetic parameters slightly exceeds 2β. The problems of introducing corrections due to spatial effects are not considered in this study.
Jayasudha, S.; Madhukumar, K.; Nair, C. M. K.; Nair, Resmi G.; Anandakumar, V. M.; Elias, Thayal Singh
2016-02-01
Nanostructured SrSO4:Eu phosphors with high thermoluminescence (TL) emission temperatures have been synthesized through a controlled chemical precipitation method. Structural analysis and TL studies under both γ-ray and X-ray excitations were done. The phosphors were characterized using Powder X-ray diffraction, X-ray photoelectron spectroscopy, SEM, TEM, thermogravimetry, UV-VIS and photoluminescence studies. The average crystallite size estimated using PXRD data is found to be around 40 nm. XPS and PL studies reveal that Eu2 + ions are the luminescence emission centres in the phosphor. The phosphor is found to be highly TL sensitive to both γ-rays and X-rays with very high emission temperature which is not reported so far. The emission behaviour is suitable for environmental radiation dosimetry applications. The TL glow curve shows well-defined isolated high temperature emission peak at 312 °C under 2 Gy γ-excitation and 284 °C for low energy diagnostic X-ray irradiation and 271 °C for high energy therapeutic X-rays. Chen's peak shape method is applied to obtain the kinetic parameters behind the TL emission. The TL mechanism is found to follow second order kinetics, suggesting the probability of re-trapping of charge carriers.
Jayasudha, S; Madhukumar, K; Nair, C M K; Nair, Resmi G; Anandakumar, V M; Elias, Thayal Singh
2016-02-15
Nanostructured SrSO4:Eu phosphors with high thermoluminescence (TL) emission temperatures have been synthesized through a controlled chemical precipitation method. Structural analysis and TL studies under both γ-ray and X-ray excitations were done. The phosphors were characterized using Powder X-ray diffraction, X-ray photoelectron spectroscopy, SEM, TEM, thermogravimetry, UV-VIS and photoluminescence studies. The average crystallite size estimated using PXRD data is found to be around 40nm. XPS and PL studies reveal that Eu(2+) ions are the luminescence emission centres in the phosphor. The phosphor is found to be highly TL sensitive to both γ-rays and X-rays with very high emission temperature which is not reported so far. The emission behaviour is suitable for environmental radiation dosimetry applications. The TL glow curve shows well-defined isolated high temperature emission peak at 312°C under 2Gy γ-excitation and 284°C for low energy diagnostic X-ray irradiation and 271°C for high energy therapeutic X-rays. Chen's peak shape method is applied to obtain the kinetic parameters behind the TL emission. The TL mechanism is found to follow second order kinetics, suggesting the probability of re-trapping of charge carriers. PMID:26562181
Fátima Resende Luiz Fia
2012-03-01
Full Text Available The objective of this study was to evaluate the performance of constructed wetland systems (SACs for treatment of swine wastewater (ARS under different organic loads (TCOA, and obtain kinetic parameters for sizing of the SACs. The SACs consisted of two tanks measuring 0.40 x 0.10 x 0.15 m, constructed of glass and filled with a 0.13 m layer of pea gravel; these were installed within a BOD incubator to maintain a 20°C temperature. The SACs were not cultivated and were submitted to average TCOA concentrations of 246 (SAC1 and 328 kg ha-1 day-1 of BOD (SAC2 for 51 days. With regard to the removal of organic matter, in the form of TSS, BOD and COD, no statistical difference was verified (p > 0.05 between the SACs, being that the average removal efficiencies for the referred variables in SAC1 and SAC2 were 68 and 76%, 66 and 73%, and 55 and 58%, respectively. The models proposed by Brasil et al. (2007 and Kadlec and Wallace (2008 presented good fit and adequately described the kinetics of organic matter removal (BOD and COD from the evaluated systems, generally presenting R2 greater than 99%.
This study provide the regulatory bodies and the operators that generate and manage radioactive waste with some recommendations on how to meet the IAEA safety requirements for the safe management of radioactive waste. The Sorption of Nickel from aqueous waste solutions by a natural kaolinite clay was studied. The different parameters affecting the sorption capacity of the selected elements by the investigated resins have been studied. The parameters include solution ph, metal ion concentration and presence of some competing cations. The metal sorbed percent of the investigated elements was determined for kaolinite clay. Sorption data have been interpreted in the terms of Langmuir and Freundlich isotherm equations.The metal sorbed percent of Ni-63 on the kaolinite clay sample is found to reach about 84%. The obtained data show that kaolinite clay can be considered as an efficient sorbent for the investigated metal cations of Ni-63 from their aqueous solutions. Therefore, it could be effectively used for the decontamination of waste solutions containing low concentration of radioactive nuclides of the radioisotopes under this investigation. However it is recommended that to use the kaolinite clay in decontamination purpose since it is easily to found and low cost.
Marozzi, C.A.; Chialvo, A.C. [Universidad Nacional del Litoral, Santiago del Estero, Santa Fe (AR). Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica; Canto, M.R.; Costanza, V. [Instituto de Desarrollo Tecnologico para la Industria Quimica (INTEC), Universidad Nacional del Litoral-Consejo Nacional de Investigaciones Cientificas y Tecnicas, Gueemes, Santa Fe (Argentina)
2005-11-01
The use of the voltammetric response j{sup vol}({eta}) of a potentiodynamic sweep at a slow scan rate v{sub s} in place of a steady state polarization curve j{sup ss}({eta}) for the determination of the kinetic parameters of the hydrogen evolution reaction is analyzed. It is proposed to consider j{sup vol}({eta},v{sub s}){approx_equal}j{sup ss}({eta}) when the condition 0.99{<=}j{sup vol}({eta},v{sub s})/j{sup ss}({eta}){<=}1.01 is verified in the overpotentials range {eta} {<=} -0.05 V. It has been also established a simple relationship between the maximum admissible scan rate v{sub s} {sup max} and the equilibrium polarization resistance R{sub p}. Finally, the application of this criterion on different electrodes is described and discussed. (author)
Y. Rudich
2005-04-01
Full Text Available Aerosols and clouds play central roles in atmospheric chemistry and physics, climate, air pollution, and public health. The mechanistic understanding and predictability of aerosol and cloud properties, interactions, transformations, and effects are, however, still very limited. This is due not only to the limited availability of measurement data, but also to the limited applicability and compatibility of model formalisms used for the analysis, interpretation, and description of heterogeneous and multiphase processes. To support the investigation and elucidation of atmospheric aerosol and cloud surface chemistry and gas-particle interactions, we present a comprehensive kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters. It allows to describe mass transport and chemical reactions at the gas-particle interface and to link aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer; straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients; clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion correction, surface and bulk accommodation; clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms; mechanistic description of concentration and time dependencies; flexible inclusion/omission of chemical species and physicochemical processes; flexible convolution/deconvolution of species and processes; and full compatibility with traditional
Boller, A J; Thomas, P J; Cavanaugh, C M; Scott, K M
2015-01-01
The cosmopolitan, bloom-forming diatom, Skeletonema costatum, is a prominent primary producer in coastal oceans, fixing CO2 with ribulose 1,5-bisphosphate carboxylase/oxygenase (RubisCO) that is phylogenetically distinct from terrestrial plant RubisCO. RubisCOs are subdivided into groups based on sequence similarity of their large subunits (IA-ID, II, and III). ID is present in several major oceanic primary producers, including diatoms such as S. costatum, coccolithophores, and some dinoflagellates, and differs substantially in amino acid sequence from the well-studied IB enzymes present in most cyanobacteria and in green algae and plants. Despite this sequence divergence, and differences in isotopic discrimination apparent in other RubisCO enzymes, stable carbon isotope compositions of diatoms and other marine phytoplankton are generally interpreted assuming enzymatic isotopic discrimination similar to spinach RubisCO (IB). To interpret phytoplankton δ(13) C values, S. costatum RubisCO was characterized via sequence analysis, and measurement of its KCO2 and Vmax , and degree of isotopic discrimination. The sequence of this enzyme placed it among other diatom ID RubisCOs. Michaelis-Menten parameters were similar to other ID enzymes (KCO2 = 48.9 ± 2.8 μm; Vmax = 165.1 ± 6.3 nmol min(-1 ) mg(-1) ). However, isotopic discrimination (ε = [(12) k/(13) k - 1] × 1000) was low (18.5‰; 17.0-19.9, 95% CI) when compared to IA and IB RubisCOs (22-29‰), though not as low as ID from coccolithophore, Emiliania huxleyi (11.1‰). Variability in ε-values among RubisCOs from primary producers is likely reflected in δ(13) C values of oceanic biomass. Currently, δ(13) C variability is ascribed to physical or chemical factors (e.g. illumination, nutrient availability) and physiological responses to these factors (e.g. carbon-concentrating mechanisms). Estimating the importance of these factors from δ(13) C measurements requires an accurate ε-value, and a mass
无
2002-01-01
A comparative study on the photosynthetic parameters among intergeneric progenies derived from Oryza sativa L.×Sorghum vulgare L., its maternal parent Gui 630 and commercial 3-line hybrid rice Shanyou 63 in pot experiment in greenhouse was conducted. The morphological and photosynthetic characters of canopy leaves and chlorophyll fluorescence kinetic parameters including Fv/Fm, Fv/F0, photochemical quenching coefficient and non-photochemical coefficient of canopy leaves of 3 varieties were measured. The results showed the progeny, Yuanyou 1, derived from an intergeneric cross of rice and sorghum possesses better canopy spatial architecture with thicker, heavier and bigger canopy leaf than its maternal parent Gui 630. Higher photosynthetic rate due to higher chlorophyll content, higher primary energy transformation efficiency, potential of PSII and non-photochemical quenching coefficient (qE) were also measured in Yuanyou 1. These explain partly why the intergeneric progeny has higher biomass production, and better tolerance to adverse conditions and higher field yields even under stress conditions.
Bisetti, Fabrizio
2014-01-02
The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed. © 2014 Taylor & Francis.
Raziyeh Zandipak
2016-02-01
Full Text Available Background: Among different pollutants released into the environment, dyes are considered as one of the most dangerous contaminants. In recent years, magnetic nanomaterials have attracted much attention for their dye removal capacity. The aim of this study was to explore the adsorption kinetics of an anionic dye (Reactive Orange 13 (RO by NiFe2O4 nanoparticles (NiFe2O4 NPs under various conditions. Methods: NiFe2O4 nanoparticles (NiFe2O4 NPs were prepared and characterized by X-ray diffraction (XRD, transmission electronic microscopy (TEM, pHpzc and BET methods. The adsorption characteristics of the NiFe2O4 NPs adsorbent were examined using Reactive Orange 13 as an adsorbate. The influences of parameters including pH, dose of adsorbent and contact time were investigated to find the optimum adsorption conditions. Results: Decreasing solution pH and increasing contact time were favorable for improving adsorption efficiency. The kinetic and isotherm data of RO adsorption on NiFe2O4 NPs were well fitted by pseudo-second-order and Langmuir models, respectively. Conclusion: The maximal adsorption capacity of RO was 243.9 mg g-1 at 25◦C and pH 3.0 and the adsorption of RO on the NiFe2O4 NPs follows a monolayer coverage model. NiFe2O4 NPs might be an effective and potential adsorbent for removing anionic dyes from aqueous solutions.
Bisetti, Fabrizio; El Morsli, Mbark
2014-01-01
The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed.
Pöschl, U.; Rudich, Y.; Ammann, M.
2007-12-01
Aerosols and clouds play central roles in atmospheric chemistry and physics, climate, air pollution, and public health. The mechanistic understanding and predictability of aerosol and cloud properties, interactions, transformations, and effects are, however, still very limited. This is due not only to the limited availability of measurement data, but also to the limited applicability and compatibility of model formalisms used for the analysis, interpretation, and description of heterogeneous and multiphase processes. To support the investigation and elucidation of atmospheric aerosol and cloud surface chemistry and gas-particle interactions, we present a comprehensive kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters. It enables a detailed description of mass transport and chemical reactions at the gas-particle interface, and it allows linking aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer); straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined and consistent rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients); clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion, surface and bulk accommodation); clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms); mechanistic description of concentration and time dependences (transient and steady-state conditions); flexible addition of unlimited numbers of chemical species and physicochemical processes; optional aggregation or resolution
Reliable 15N tracer substances for tracer kinetic determination of whole-body protein parameters in very small preterm infants are still a matter of intensive research, especially after some doubts have been raised about the validity of [15N]glycine, a commonly used 15N tracer. Protein turnover, synthesis, breakdown, and further protein metabolism data were determined by a paired comparison in four preterm infants. Their post-conceptual age was 32.2 +/- 0.8 weeks, and their body weight was 1670 +/- 181 g. Tracer substances applied in this study were a [15N]amino acid mixture (Ia) and [15N]glycine (Ib). In a second group of three infants with a post conceptual age of 15N-labeled 32.0 +/- 1.0 weeks and a body weight of 1,907 +/- 137 g, yeast protein hydrolysate (II) was used as a tracer substance. A three-pool model was employed for the analysis of the data. This model takes into account renal and fecal 15N losses after a single 15N pulse. Protein turnovers were as follows: 11.9 +/- 3.1 g kg-1 d-1 (Ia), 16.2 +/- 2.5 g kg-1 d-1 (Ib), and 10.8 +/- 3.0 g kg-1 d-1 (II). We were able to demonstrate an overestimation of the protein turnover when Ib was used. There was an expected correspondence in the results obtained from Ia and II. The 15N-labeled yeast protein hydrolysate is a relatively cheap tracer that allows reliable determination of whole-body protein parameters in very small preterm infants
Morozova, E A; Kulikova, V V; Yashin, D V; Anufrieva, N V; Anisimova, N Y; Revtovich, S V; Kotlov, M I; Belyi, Y F; Pokrovsky, V S; Demidkina, T V
2013-07-01
The steady-state kinetic parameters of pyridoxal 5'-phosphate-dependent recombinant methionine γ -lyase from three pathogenic bacteria, Clostridium tetani, Clostridium sporogenes, and Porphyromonas gingivalis, were determined in β- and γ-elimination reactions. The enzyme from C. sporogenes is characterized by the highest catalytic efficiency in the γ-elimination reaction of L-methionine. It was demonstrated that the enzyme from these three sources exists as a tetramer. The N-terminal poly-histidine fragment of three recombinant enzymes influences their catalytic activity and facilitates the aggregation of monomers to yield dimeric forms under denaturing conditions. The cytotoxicity of methionine γ-lyase from C. sporogenes and C. tetani in comparison with Citrobacter freundii was evaluated using K562, PC-3, LnCap, MCF7, SKOV-3, and L5178y tumor cell lines. K562 (IC50=0.4-1.3 U/ml), PC-3 (IC50=0.1-0.4 U/ml), and MCF7 (IC50=0.04-3.2 U/ml) turned out to be the most sensitive cell lines. PMID:24303205
Santosh Kumar Verma; Kallol K Ghosh
2013-07-01
Reverse micelles (RMs) of sodium 1,4-bis(2-ethylhexyl)sulphosuccinate (AOT) in nonpolar organic solvents are widely known to have very high solubilization power for water. The method is applied to the hydrolysis of -nitrophenyl acetate (PNPA) catalysed by -chymotrypsin (-CT) in AOT/isooctane/buffer RMs. The increase in -CT activity and stability was an optimum at wo ([H2O]/[AOT]) = 10, z [Isooctane]/[AOT]) = 5. Three typical surfactants were selected based on their head group charges: a non-ionic surfactant Triton-X 100 and two zwitterionic sulphobetaine surfactants of the type CH2+1N+Me2 (CH2)3 SO$^{−}_{3}$ (n = 10; SB3-10, n = 16; SB3-16). The kinetic parameters (such as cat and M) of the -CT at 27°C were determined and compared in the absence and presence of three surfactants. The effect of chain length of zwitterionic surfactant (SB3-10 and SB3-16) on the enzymatic efficacy of -CT as a function of mixed surfactant addition has been investigated in AOT/isooctane RMs at pH 7.75.
A. M. Rodrigues
2013-01-01
Full Text Available Crystallization kinetics parameters of a stoichiometric glass with the composition Li1.5Al0.5Ge1.5(PO43 were investigated by subjecting parallelepipedonal samples (3 × 3 × 1.5 mm to heat treatment in a differential scanning calorimeter at different heating rates (3, 5, 8 and 10 °C/min. The data were analyzed using Ligero's and Kissinger's methods to determine the activation energy (E of crystallization, which yielded, respectively, E = 415 ± 37 kJ/mol and 378 ± 19 kJ/mol. Ligero's method was also employed to calculate the Avrami coefficient (n, which was found to be n = 3.0. A second set of samples were heat-treated in a tubular furnace at temperatures above the glass transition temperature, Tg, to induce crystallization. The X-ray diffraction analysis of these samples indicated the presence of LiGe2(PO43 which displays a NASICON-type structure. An analysis by optical microscopy revealed the presence of spheric crystals located primarily in the volume, in agreement with the crystallization mechanism predicted by the Avrami coefficient.
Huang, Limao; Liu, Jingyong; He, Yao; Sun, Shuiyu; Chen, Jiacong; Sun, Jian; Chang, KenLin; Kuo, Jiahong; Ning, Xun'an
2016-10-01
Thermodynamics and kinetics of sewage sludge (SS) and water hyacinth (WH) co-combustion as a blend fuel (SW) for bioenergy production were studied through thermogravimetric analysis. In CO2/O2 atmosphere, the combustion performance of SS added with 10-40wt.% WH was improved 1-1.97 times as revealed by the comprehensive combustion characteristic index (CCI). The conversion of SW in different atmospheres was identified and their thermodynamic parameters (ΔH,ΔS,ΔG) were obtained. As the oxygen concentration increased from 20% to 70%, the ignition temperature of SW decreased from 243.1°C to 240.3°C, and the maximum weight loss rate and CCI increased from 5.70%·min(-1) to 7.26%·min(-1) and from 4.913%(2)·K(-3)·min(-2) to 6.327%(2)·K(-3)·min(-2), respectively, which corresponded to the variation in ΔS and ΔG. The lowest activation energy (Ea) of SW was obtained in CO2/O2=7/3 atmosphere. PMID:27416513
In 3 successive experiments with growing rats the suitability of pulse labelling with 15N glycine, linked with labelling by means of 14C lysine (experiment 3), was tested for the determination of kinetic parameters of the protein metabolism of the whole body by the application of the compartment model in comparison with pulse labelling with 15N-amino acid mixture (experiment 2) and long-term labelling with 15N-labelled wheat in the feed (experiment 1) under standardized experiment conditions. In measurings of energy metabolism simultaneously carried out with parallel groups of animals the comparability of the metabolic development was studied. The ascertained values of protein synthesis rate, protein catabolism rate and re-utilization rate showed insignificant differences only between the 3 15N tracer variants (with certain limitations for the 'protein turnover' (P)-group of experiment 2) in comparison with errors of the applied methods, from which conclusions can be drawn for the suitability of 15N glycine as tracer, at least under the experimental conditions tested. Protein synthesis and degradation rates ascertained from 14CO2 excretion in experiment 3 were clearly below those average values ascertained with 15N. The differences in the average heat production between the main periods of the 3 experiments were statistically insignificant. (author)
Uncatalysed acid bromate oxidation of lactic acid (LA) exhibits fractional order (1.6) in [acid] and first order each in [Br(V)] and [LA]. Kinetic isotope effect (kH/kD=1) is absent, however an inverse solvent isotope effect (kH2O/kD2O=1.78 at 313 K) is observed. The mechanism proposed consists of a rate determining formation of bromate ester due to the nucleophilic attack by the alcoholic/hydroxyl group at the bromine atom of HOBrO2/H2O2Br+O, followed by a fast disproportionation of the ester through C-C bond cleavage to form products. Oxovanadium(IV)-catalysed LA-Br(V) reaction exhibits second order in [acid], fractional order in [lactic acid] and first order each in [VOSO4] and [oxidant]. The envisaged mechanism assumes a ternary complex formation involving a binary complex of LA and V(IV) and protonated bromate, which subsequently decomposes to the intermediate/products. The rate constants involved for each step of the reactions are evaluated along with their thermodynamic parameters. (author)
KatsuyoshiShimizu; 唐建军; 陈欣
2002-01-01
A comparative study on the photosynthetic parameters among intergeneric progenies derived from Oryza sativa L.× Sorghum vulgare L. , its maternal parent Gui 630 and commercial 3-line hybrid rice Shanyou 63 in pot experiment in greenhouse was conducted. The morphological and photosynthetic characters of canopy leaves and chlorophyll fluorescence kinetic pm'mneters including Fv/Fm, Fv/F0, photochemical quenching coefficient and non-photochemical coefficient of canopy leaves of 3 varieties were measured. The results showed the progeny, Yuanyou 1, derived from an intergeneric cross of rice and sorghum possesses better canopy spatial architecture with thicker, heavier and bigger canopy leaf than its maternal parent Gui 630.Higher photosynthetic rate due to higher chlorophyll content, higher primary energy transformation efficiency,potential of PSII and non-photochemieal quenching coefficient (qE) were also measured in Yuanyou 1. These explain partly why the intergeneric progeny has higher biomass production, and better tolerance to adverse conditions and higher field yields even under stress conditions.
Tan, R. P.; Carrey, J.; Respaud, M.
2014-12-01
Understanding the influence of dipolar interactions in magnetic hyperthermia experiments is of crucial importance for fine optimization of nanoparticle (NP) heating power. In this study we use a kinetic Monte Carlo algorithm to calculate hysteresis loops that correctly account for both time and temperature. This algorithm is shown to correctly reproduce the high-frequency hysteresis loop of both superparamagnetic and ferromagnetic NPs without any ad hoc or artificial parameters. The algorithm is easily parallelizable with a good speed-up behavior, which considerably decreases the calculation time on several processors and enables the study of assemblies of several thousands of NPs. The specific absorption rate (SAR) of magnetic NPs dispersed inside spherical lysosomes is studied as a function of several key parameters: volume concentration, applied magnetic field, lysosome size, NP diameter, and anisotropy. The influence of these parameters is illustrated and comprehensively explained. In summary, magnetic interactions increase the coercive field, saturation field, and hysteresis area of major loops. However, for small amplitude magnetic fields such as those used in magnetic hyperthermia, the heating power as a function of concentration can increase, decrease, or display a bell shape, depending on the relationship between the applied magnetic field and the coercive/saturation fields of the NPs. The hysteresis area is found to be well correlated with the parallel or antiparallel nature of the dipolar field acting on each particle. The heating power of a given NP is strongly influenced by a local concentration involving approximately 20 neighbors. Because this local concentration strongly decreases upon approaching the surface, the heating power increases or decreases in the vicinity of the lysosome membrane. The amplitude of variation reaches more than one order of magnitude in certain conditions. This transition occurs on a thickness corresponding to approximately
Miyakawa, H. [Sasebo College of Technology, Nagasaki (Japan); Shiraishi, F. [Kyushu Institute of Technology, Fukuoka (Japan)
1998-05-10
The effect of nonuniform activity distribution in a porous support on the apparent kinetic parameters, Vm{sup app} and Km{sup app}, of a packed-bed immobilized enzyme reactor has been theoretically investigated. Vm{sup app} and Km{sup app} increase with the increase of external diffusional resistance, regardless of the type of nonuniform activity distribution. As the external diffusional resistance becomes significant, the apparent kinetic parameters became less dependent on the substrate concentration at the reactor inlet. Like the case of diffusional resistance or electrostatic field, the nonuniform activity distribution had a significant effect on Km{sup app}. 7 refs., 3 figs.
Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.
2013-03-01
Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.
Sales-Cruz, Mauricio; Heitzig, Martina; Cameron, Ian;
2011-01-01
In this chapter the importance of parameter estimation in model development is illustrated through various applications related to reaction systems. In particular, rate constants in a reaction system are obtained through parameter estimation methods. These approaches often require the application...... of optimisation techniques coupled with dynamic solution of the underlying model. Linear and nonlinear approaches to parameter estimation are investigated. There is also the application of maximum likelihood principles in the estimation of parameters, as well as the use of orthogonal collocation to...... generate a set of algebraic equations as the basis for parameter estimation.These approaches are illustrated using estimations of kinetic constants from reaction system models....
Cristiane Mita; Vanessa Hitomi Sugahara; Jo I Wu; Pedro Manoel Oliveira Janeiro Neves; Dalva Tomoe Miyagui; Geni Varéa-Pereira; Danieli Cristina Sassá; Evelyn Kamogawa
2008-01-01
Entomopathogenic fungus Beauveria bassiana is currently used as a biocontrol agent for agricultural pests. The infection process involves extracellular enzymes such as proteases and chitinases that degrade the cuticle of the insects. The objective of this work was to evaluate kinetic parameters of pH, temperature, ionic concentration and time of reaction on chitinases activity. The fungus B. bassiana CG432 was cultivated on coffee berry borer Hypothenemus hampei (Ferrari) and the conidia grow...
Gallegos, A.A. [CICATA-IPN, Legaria 694, Col. Irrigacion, 11500 Mexico D.F. (Mexico); Khaidukov, N.M. [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation); Azorin, J. [UAM-I, 09340 Mexico D.F. (Mexico)
2005-07-01
In this work the K{sub 2}Y doped materials with percentages of 0.01 and 0.2 of F{sub 5} and, 0.8 and 0.99 of Tb{sup 3+} were studied to determine the kinetic parameters (activation energy and frequency factor) of TL peaks with the purpose of comparing those sensitive qualities of the materials at the doping with TR and their candidacy for tests of TL dosimetry (linearity of the response with the absorbed dose and the reproducibility of the measures of the dose). The samples were irradiated with a beta source of {sup 90} Sr/{sup 90} Y, to ambient temperature, giving its a dose of 236.6 mGy, later the kinetic parameters with different experimental procedures were determined: isothermal decay to ambient temperature and erased of peaks not desired to greater temperature than the ambient. The glow curves (TL curves) were obtained with an TL analyzer Harshaw 4000, with interface to CPU for the handling of the data of the curves, which were treated with the curve form method and the models of: Chen first approach and Chen modified, corrected Lushchik approach and Grossweiner approach, to calculate the kinetic parameters of the sample. (Author)
Alca Ruiz, F.
1982-07-01
In this report one distribution of neutron counts obtained by a detector placed in a reactor is studied in order to be used in the determination of reactor kinetic parameters such as {beta}/{lambda} and reactivities. The parameters accuracy from this new method is compared with the Feynman and Mogilner method, based too in Reactor Neutron Noise Analysis. These three methods have been applied to JEN-2 reactor and the better accuracy and faster collection of experimental data give some interest to the new method which only requires a good footing code. (Author) 68 refs.
Aghilinategh, Nahid; Rafiee, Shahin; Gholikhani, Abolfazl; Hosseinpur, Soleiman; Omid, Mahmoud; Mohtasebi, Seyed S.; Maleki, Neda
2015-01-01
Abstract In the study, the effectiveness of intermittent (IMWD) and continuous (CMWD) microwave drying and hot air drying (HAD) treatments on apple slices were compared in terms of drying kinetics (moisture diffusivity and activation energy) and critical physicochemical quality attributes (color change, rehydration ratio, bulk density, and total phenol content (TPC) of the final dried product. The temperature, microwave power, air velocity, and pulse ratio (PR) applied in the experiments were...
A.M. Rodrigues; J. L. Narváez-Semanate; A. A. Cabral; A. C. M. Rodrigues
2013-01-01
Crystallization kinetics parameters of a stoichiometric glass with the composition Li1.5Al0.5Ge1.5(PO4)3 were investigated by subjecting parallelepipedonal samples (3 × 3 × 1.5 mm) to heat treatment in a differential scanning calorimeter at different heating rates (3, 5, 8 and 10 °C/min). The data were analyzed using Ligero's and Kissinger's methods to determine the activation energy (E) of crystallization, which yielded, respectively, E = 415 ± 37 kJ/mol and 378 ± 19 kJ/mol. Ligero's method ...
Li, Jianping; Lin, Qingyu; Zhang, Xuehong; Yan, Yan
2009-05-01
The hyperaccumulative plant species Leersia hexandra Swartz, particularly, has been considered for its detoxification mechanism for phytoremediation of chromium-contaminated water environments. This study investigates the role of the adsorption mechanism of the L. hexandra Sw. biomass on the removal of chromium ions Cr(VI) and Cr(III) from an aqueous solution. The interaction between chromium ions and the L. hexandra Sw. biomass was characterized by using infrared spectroscopy. The results indicate that the binding process of the chromium ions involves the active participation of ligands present in the biomass, such as acylamide, carbonyl, amino, carboxyl, and hydroxyl groups, to immobilize the chromium ions. Equilibrium biosorption experiments were carried out to investigate the effects of pH values and contact time. Adsorption isotherms were modeled with the Langmuir and Freundlich equations and isotherm constants were calculated. Kinetic experiments showed the rapid process of biosorption and the pseudo-second-order model was successfully applied to predict the rate constant of biosorption. This study firstly discovered the kinetics equilibrium modelling of L. hexandra Sw. biomass on biosorption Cr(VI) and Cr(III). PMID:19251269
De Micco, G., E-mail: demiccog@cab.cnea.gov.ar [Comision Nacional de Energia Atomica (C.N.E.A.), Avenida Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Universidad Nacional de Cuyo, Instituto Balseiro, Avenida Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Carignan, M. [Comision Nacional de Energia Atomica (C.N.E.A.), Avenida Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Canavesio, C.A. [Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Bohe, A.E. [Comision Nacional de Energia Atomica (C.N.E.A.), Avenida Bustillo 9500, 8400 San Carlos de Bariloche (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Universidad Nacional del Comahue, Centro Regional Universitario Bariloche, 8400 San Carlos de Bariloche (Argentina)
2012-09-10
Highlights: Black-Right-Pointing-Pointer Kinetics of chlorination of MoO{sub 3} was studied by thermogravimetry. Black-Right-Pointing-Pointer The starting temperature for the reaction is determined at about 770 K. Black-Right-Pointing-Pointer An average activation energy of 211 kJ mol{sup -1} for the chlorination was determined. Black-Right-Pointing-Pointer A reaction order of 1 with respect to chlorine partial pressure was obtained. Black-Right-Pointing-Pointer A complete reaction rate equation was formulated for two MoO{sub 3} sample morphologies. - Abstract: In this work the kinetics of the chlorination of molybdenum trioxide has been studied by thermogravimetry between 798 and 873 K. The starting temperature for the reaction of MoO{sub 3} with chlorine is determined at about 770 K. The influence of gaseous flow rate, sample mass, temperature, and chlorine partial pressure in the reaction rate is analyzed for two MoO{sub 3} samples having different particle size and morphology. The experimental conditions for chemical control of the reaction rate were established for both types of samples. An average activation energy of 211 kJ mol{sup -1} and a reaction order of 1 with respect to chlorine partial pressure were determined for the chlorination of MoO{sub 3} with gaseous chlorine. A complete rate equation was formulated that describes the reaction evolution of each type of solid.
Dahlan, Irvan [School of Civil Engineering, Universiti Sains Malaysia, Engineering Campus, Seri Ampangan, 14300 Nibong Tebal, Pulau Pinang (Malaysia); Lee, Keat Teong; Kamaruddin, Azlina Harun [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, Seri Ampangan, 14300 Nibong Tebal, Pulau Pinang (Malaysia); Mohamed, Abdul Rahman, E-mail: chrahman@eng.usm.my [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, Seri Ampangan, 14300 Nibong Tebal, Pulau Pinang (Malaysia)
2011-01-30
In this study, the kinetic parameters of rice husk ash (RHA)/CaO/CeO{sub 2} sorbent for SO{sub 2} and NO sorptions were investigated in a laboratory-scale stainless steel fixed-bed reactor. Data experiments were obtained from our previous results and additional independent experiments were carried out at different conditions. The initial sorption rate constant (k{sub 0}) and deactivation rate constant (k{sub d}) for SO{sub 2}/NO sorptions were obtained from the nonlinear regression analysis of the experimental breakthrough data using deactivation kinetic model. Both the initial sorption rate constants and deactivation rate constants increased with increasing temperature, except at operating temperature of 170 {sup o}C. The activation energy and frequency factor for the SO{sub 2} sorption were found to be 18.0 kJ/mol and 7.37 x 10{sup 5} cm{sup 3}/(g min), respectively. Whereas the activation energy and frequency factor for the NO sorption, were estimated to be 5.64 kJ/mol and 2.19 x 10{sup 4} cm{sup 3}/(g min), respectively. The deactivation kinetic model was found to give a very good agreement with the experimental data of the SO{sub 2}/NO sorptions.
Sau, Sujay P.; Kumar, Pawan; Sharma, Pawan K.; Hrdlicka, Patrick J.
2012-01-01
Triplex forming oligonucleotides (TFOs) are the most commonly used approach for site-specific targeting of double stranded DNA (dsDNA). Important parameters describing triplex formation include equilibrium binding constants (K eq) and association/dissociation rate constants (k on and k off). The ‘fluorescent intercalator displacement replacement’ (FIDR) assay is introduced herein as an operationally simple approach toward determination of these parameters for triplexes involving TC-motif TFOs...
Arslan-Alaton, Idil; Olmez-Hanci, Tugba; Genç, Bora; Dursun, Duygu
2013-01-01
This study explored the potential use of a sulfate radical (SO·−4)-based photochemical oxidation process to treat the commercial nonionic surfactant octylphenol polyethoxylate (OPPE) Triton™ X-45. For this purpose, the effect of initial S2O2−8 (0–5.0 mM) and OPPE (10–100 mg/L) concentrations on OPPE and its organic carbon content (TOC) removal were investigated at an initial reaction pH of 6.5. Results indicated that very fast OPPE degradation (100%) accompanied with high TOC abatement rates (90%) could be achieved for 10 and 20 mg/L aqueous OPPE at elevated S2O2−8 concentrations (≥2.5 mM). S2O2−8/UV-C treatment was still capable of complete OPPE removal up to an initial concentration of 40 mg/L in the presence of 2.5 mM S2O2−8. On the other hand, TOC removal efficiencies dropped down to only 40% under the same reaction conditions. S2O2−8/UV-C oxidation of OPPE was also compared with the relatively well-known and established H2O2/UV-C oxidation process. Treatment results showed that the performance of S2O2−8/UV-C was comparable to that of H2O2/UV-C oxidation for the degradation and mineralization of OPPE. In order to elucidate the relative reactivity and selectivity of SO·−4 and HO·, bimolecular reaction rate coefficients of OPPE with SO·−4 and HO· were determined by employing competition kinetics with aqueous phenol (47 μM) selected as the reference compound. The pseudo-first-order abatement rate coefficient obtained for OPPE during S2O2−8/UV-C oxidation (0.044 min−1) was found to be significantly lower than that calculated for phenol (0.397 min−1). In the case of H2O2/UV-C oxidation however, similar pseudo-first-order abatement rate coefficients were obtained for both OPPE (0.087 min−1) and phenol (0.140 min−1). From the kinetic study, second-order reaction rate coefficients for OPPE with SO·−4 and HO· were determined as 9.8 × 108 M−1 s−1 and 4.1 × 109 M−1 s−1, respectively. The kinetic study also revealed
Basurto G, B.S
2002-07-01
The objective of this work, is the one of determining the kinetic parameters of the dosemeter of LiF: Mg, Cu, P + Ptfe; starting from the curves Tl obtained at being irradiated with alpha radiation ({alpha}), beta ({beta}) and gamma ({gamma}). As like to compare its sensitivity with each radiation type, considering the sensitivity of the TLD-100 as the unit. In the Chapter 1, the fundamental structure of the matter is described, making emphasis in the different radiation types, and their interaction with this. In the Chapter 2, the units are described but used in the dosimetry of the radiation. In the Chapter 3, the basic concepts of the phenomenon of Tl are described and those are explained characteristic of the deconvolution method to determine the kinetics of the one phenomenon. In the Chapter 4, the methodology is detailed that was used in the elaboration of this thesis work, describing the material Tl that were considered like reference, as well as the sources of ionizing radiation, with those that the dosemeters were irradiated and the equipment in the one that the curves Tl was obtained. Reference is made to the software used to carry out the deconvolution of the curves Tl that were obtained in the one experimental development. In the Chapter 5, the obtained results of this study are presented, showing the tables of homogenization of dosemeters and the reading of the same one; they are observed the curves Tl obtained to different radiation doses (alpha, beta and gamma), the intensity Tl in function of the dose. Also they are tabulated, the obtained results in the kinetic parameters of the three different study materials (TLD-100H, USA; TLD-100, USA and LiF: Mg, Cu, P + Ptfe developed in the l.N.l.N). They are analyzed shortly for each material Tl their sensitivity to the ionizing radiation as well as their kinetic parameters. The obtained results showed that the Tl dosemeters of LiF: Mg,Cu,P + Ptfe, they presented a bigger sensitivity that the TLD-100 when
THERMODYNAMIC AND KINETIC PARAMETERS OF MIXTURES DESULFURIZING THE MADE WITH CaO, MgO, SiO2 AND CaF2
Felipe Nylo de Aguiar
2012-09-01
Full Text Available This paper presents an analysis of the kinetics and thermodynamics of marble residue mixtures utilisation on desulfurization of pig iron. The desulfurization was carried out using lime, marble residue, fluorite and pig iron. Different mixtures of these materials were added into a bath of pig iron at 1,450°C. Metal samples were collected via vacuum samplers at times of 5, 10, 15, 20 and 30 minutes, in order to check the variation of sulfur content. Based on the results of chemical analysis of the metal and the desulfurizer mixture, the sulfide capacity of mixtures, the sulfur partition coefficient and the sulfur mass transport coefficient values were calculated.The results show the technical feasibility of using marble waste as desulfurizer agent.
van Leeuwen, Theo; Djonov, Emilia
After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....
Cusnir, Ruslan; Jaccard, Maud; Bailat, Claude; Christl, Marcus; Steinmann, Philipp; Haldimann, Max; Bochud, François; Froidevaux, Pascal
2016-05-17
The interaction of trace metals with naturally occurring organic matter (NOM) is a key process of the speciation of trace elements in aquatic environments. The rate of dissociation of metal-NOM complexes will impact the amount of free metal available for biouptake. Assessing the bioavailability of plutonium (Pu) helps to predict its toxic effects on aquatic biota. However, the rate of dissociation of Pu-NOM complexes in natural freshwaters is currently unknown. Here, we used the technique of diffusive gradients in thin films (DGT) with several diffusive layer thicknesses to provide new insights into the dissociation kinetics of Pu-NOM complexes. Results show that Pu complexes with NOM (mainly fulvic acid) are somewhat labile (0.2 ≤ ξ ≤ 0.4), with kd = 7.5 × 10(-3) s(-1). DGT measurements of environmental Pu in organic-rich natural water confirm these findings. In addition, we determined the effective diffusion coefficients of Pu(V) in polyacrylamide (PAM) gel in the presence of humic acid using a diffusion cell (D = 1.70 ± 0.25 × 10(-6) cm(2) s(-1)). These results show that Pu(V) is a more mobile species than Pu(IV). PMID:27064997
Báez, María E; Fuentes, Edwar; Espinoza, Jeannette
2013-07-01
Atrazine sorption was studied in six Andisol and Ultisol soils. Humic and fulvic acids and humin contributions were established. Sorption on soils was well described by the Freundlich model. Kf values ranged from 2.2-15.6 μg(1-1/n)mL(1/n)g⁻¹. The relevance of humic acid and humin was deduced from isotherm and kinetics experiments. KOC values varied between 221 and 679 mLg⁻¹ for these fractions. Fulvic acid presented low binding capacity. Sorption was controlled by instantaneous equilibrium followed by a time-dependent phase. The Elovich equation, intraparticle diffusion model, and a two-site nonequilibrium model allowed us to conclude that (i) there are two rate-limited phases in Andisols related to intrasorbent diffusion in organic matter and retarded intraparticle diffusion in the organo-mineral complex and that (ii) there is one rate-limited phase in Ultisols attributed to the mineral composition. The lower organic matter content of Ultisols and the slower sorption rate and mechanisms involved must be considered to assess the leaching behavior of atrazine. PMID:23711282
E Varani; M Balducelli; Severi, S; A Patroncini; A Shoheib; Vecchi, G.; GR Lucchi; Aquilina, M.; C Corbelli; Casanova, R.; A Maresta
2007-01-01
Background: The aim of the present study was to evaluate which of theclinico-angiographic parameters of acute ischemic extension and efficacy ofreperfusion in AMI treated with primary PCI are predictive of infarct size andone month left ventricular ejection fraction (LVEF).Patients and Method: Thirty-five patients with first AMI treated withprimary PCI underwent two rest 99mTc-sestamibi gated SPECT, 4-6 days and 30-40days after PCI. Clinical, electrocardiographic, angiographic and scintigraph...
Melvin Samuel S; Evy Alice Abigail M; Ramalingam Chidambaram
2015-01-01
Biosorption is a promising alternative method to replace the existing conventional technique for Cr(VI) removal from the industrial effluent. In the present experimental design, the removal of Cr(VI) from the aqueous solution was studied by Aspergillus niger MSR4 under different environmental conditions in the batch systems. The optimum conditions of biosorption were determined by investigating pH (2.0) and temperature (27°C). The effects of parameters such as biomass dosage (g/L), initial Cr...
Poggio, D; Walker, M; Nimmo, W; Ma, L; Pourkashanian, M
2016-07-01
This work proposes a novel and rigorous substrate characterisation methodology to be used with ADM1 to simulate the anaerobic digestion of solid organic waste. The proposed method uses data from both direct substrate analysis and the methane production from laboratory scale anaerobic digestion experiments and involves assessment of four substrate fractionation models. The models partition the organic matter into a mixture of particulate and soluble fractions with the decision on the most suitable model being made on quality of fit between experimental and simulated data and the uncertainty of the calibrated parameters. The method was tested using samples of domestic green and food waste and using experimental data from both short batch tests and longer semi-continuous trials. The results showed that in general an increased fractionation model complexity led to better fit but with increased uncertainty. When using batch test data the most suitable model for green waste included one particulate and one soluble fraction, whereas for food waste two particulate fractions were needed. With richer semi-continuous datasets, the parameter estimation resulted in less uncertainty therefore allowing the description of the substrate with a more complex model. The resulting substrate characterisations and fractionation models obtained from batch test data, for both waste samples, were used to validate the method using semi-continuous experimental data and showed good prediction of methane production, biogas composition, total and volatile solids, ammonia and alkalinity. PMID:27156366
Sau, Sujay P.; Kumar, Pawan; Sharma, Pawan K.; Hrdlicka, Patrick J.
2012-01-01
Triplex forming oligonucleotides (TFOs) are the most commonly used approach for site-specific targeting of double stranded DNA (dsDNA). Important parameters describing triplex formation include equilibrium binding constants (Keq) and association/dissociation rate constants (kon and koff). The ‘fluorescent intercalator displacement replacement’ (FIDR) assay is introduced herein as an operationally simple approach toward determination of these parameters for triplexes involving TC-motif TFOs. Briefly described, relative rate constants are determined from fluorescence intensity changes upon: (i) TFO-mediated displacement of pre-intercalated and fluorescent ethidium from dsDNA targets (triplex association) and (ii) Watson–Crick complement-mediated displacement of the TFO and replacement with ethidium (triplex dissociation). The assay is used to characterize triplexes between purine-rich dsDNA targets and TC-motif TFOs modified with six different locked nucleic acid (LNA) monomers, i.e. conventional and C5-alkynyl-functionalized LNA and α-L-LNA pyrimidine monomers. All of the studied monomers increase triplex stability by decreasing the triplex dissociation rate. LNA-modified TFOs form more stable triplexes than α-L-LNA-modified counterparts owing to slower triplex dissociation. Triplexes modified with C5-(3-aminopropyn-1-yl)-LNA-U monomer Z are particularly stable. The study demonstrates that three affinity-enhancing features can be combined into one high-affinity TFO monomer: conformational restriction of the sugar ring, expansion of the pyrimidine π-stacking surface and introduction of an exocyclic amine. PMID:22855561
Sau, Sujay P; Kumar, Pawan; Sharma, Pawan K; Hrdlicka, Patrick J
2012-11-01
Triplex forming oligonucleotides (TFOs) are the most commonly used approach for site-specific targeting of double stranded DNA (dsDNA). Important parameters describing triplex formation include equilibrium binding constants (K(eq)) and association/dissociation rate constants (k(on) and k(off)). The 'fluorescent intercalator displacement replacement' (FIDR) assay is introduced herein as an operationally simple approach toward determination of these parameters for triplexes involving TC-motif TFOs. Briefly described, relative rate constants are determined from fluorescence intensity changes upon: (i) TFO-mediated displacement of pre-intercalated and fluorescent ethidium from dsDNA targets (triplex association) and (ii) Watson-Crick complement-mediated displacement of the TFO and replacement with ethidium (triplex dissociation). The assay is used to characterize triplexes between purine-rich dsDNA targets and TC-motif TFOs modified with six different locked nucleic acid (LNA) monomers, i.e. conventional and C5-alkynyl-functionalized LNA and α-L-LNA pyrimidine monomers. All of the studied monomers increase triplex stability by decreasing the triplex dissociation rate. LNA-modified TFOs form more stable triplexes than α-L-LNA-modified counterparts owing to slower triplex dissociation. Triplexes modified with C5-(3-aminopropyn-1-yl)-LNA-U monomer Z are particularly stable. The study demonstrates that three affinity-enhancing features can be combined into one high-affinity TFO monomer: conformational restriction of the sugar ring, expansion of the pyrimidine π-stacking surface and introduction of an exocyclic amine. PMID:22855561
Luciano da Silva Cabral
2011-09-01
Full Text Available This study aimed to validate the estimates of the ruminal degradation of total carbohydrates (TC, ruminal and total digestion of fibrous carbohydrates (FC and microbial nitrogen flow in the abomasum evaluated by in vitro gas production technique (IVGP. Six ruminally and abomasally cannulated steers arranged in a double 3 × 3 latin square were used to measure described parameters with indigestible neutral detergent fiber (INDF utilization as marker. Total and fibrous carbohydrates degraded in the rumen were estimated through digestion rates obtained for fibrous (FC and non fibrous carbohydrates (NFC using in vitro gas production technique, corrected for its respective ruminal and postruminal passage rates. The estimation of the total digestion of FC was done by the sum of ruminal and post-ruminal digestion of these compounds. The microbial nitrogen flow in the abomasum was estimated by the calculating the microbial efficiency of bacteria that ferment FC and NFC, utilizing the microbial growth rate obtained by the ruminal digestion rate for carbohydrate fractions in IVGP. The utilization of the in vitro gas production technique allows obtaining accurate estimates of the ruminal digestion of total carbohydrates, total and ruminal digestion of fiber carbohydrates and microbial protein flow in the abomasum.
Comparative kinetic analysis of raw and cleaned coals
Ozbas, K.E.; Kok, M.V.; Hicyilmaz, C.
2002-07-01
Thermogravimetry (TG/DTG) was used to determine the kinetic analysis of different coals and effect of cleaning process on kinetic parameters of raw and cleaned coal samples from Soma, Tuncbilek and Afsin Elbistan regions. Kinetic parameters of the samples were determined using Arrhenius and Coats and Redfern kinetic models and the results are discussed.
The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125I-radiolabelled antithrombin III and various 35S-radiolabelled heparin fractions. (Auth.)
Gonzalez M, P. R. [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Cruz Z, E.; Furetta, C., E-mail: pedro.gonzalez@inin.gob.mx [UNAM, Instituto de Ciencias Nucleares, Apdo. Postal 70-543, 04510 Mexico D. F. (Mexico)
2015-10-15
Full text: The characterization of new thermoluminescent materials used in radiation dosimetry, require the determination of kinetic parameters, which are associated with the number and shape of the peaks representing brightness curves. The most important parameters are: energy or depth of the traps (E), the frequency factor (s) and order kinetics (b). These are necessary to predict the stability of the thermoluminescent information saved after the effect of irradiation on the material. In this paper, the results of the determination of kinetic parameters of CaF{sub 2} doped with Tm{sup 3+} ions are presented, after being irradiated with gamma rays of {sup 60}Co. The methods used for the determination of kinetic parameters were: initial growth of thermoluminescent signal, Chen method of type general order and by deconvolution of the brightness curve. The results showed that the brightness curve of CaF{sub 2} has three peaks, the main peak at 491 K and two smaller peaks, one at 431 and another at 573 K. The dosimetric peak (491 K) has general order kinetics. (Author)
Kinetic distance and kinetic maps from molecular dynamics simulation
Noe, Frank
2015-01-01
Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly-interconverting states. Here we build upon diffusion map theory and define a kinetic distance for irreducible Markov processes that quantifies how slowly molecular conformations interconvert. The kinetic distance can be computed given a model that approximates the eigenvalues and eigenvectors (reaction coordinates) of the MD Markov operator. Here we employ the time-lagged independent component analysis (TICA). The TICA components can be scaled to provide a kinetic map in which the Euclidean distance corresponds to the kinetic distance. As a result, the question of how many TICA dimensions should be kept in a dimensionality reduction approach becomes obsolete, and one parameter less needs to be specified in the kinetic model construction. We demonstrate the approach using TICA and Markov state model (MSM) analyses for illustrative models, protein conformation dynamics in bovine...
C.S. Chang
2007-01-01
@@ The ITER relevant edge plasmas in the present day experiments are in the kinetic regime,with the pedestalions in the long-mean-free-path banans collisionality regime and the pedestal electrons in the banana-plateau regime.
2009-01-01
A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....
This book gives descriptions of chemical kinetics. It starts summary of chemical kinetics and reaction mechanism, and explains basic velocity law, experiment method for determination of reaction velocity, temperature dependence of reaction velocity, theory of reaction velocity, theory on reaction of unimolecular, process of atom and free radical, reaction in solution, catalysis, photochemical reaction, such as experiment and photochemical law and rapid reaction like flame, beam of molecule and shock tube.
Kinetic properties of fractal media
Chumak, Oleg V
2016-01-01
Kinetic processes in fractal stellar media are analyzed in terms of the approach developed in our earlier paper (Chumak, Rastorguev, 2016) involving a generalization of the nearest neighbor and random force distributions to fractal media. Diffusion is investigated in the approximation of scale-dependent conditional density based on an analysis of the solutions of the corresponding Langevin equations. It is shown that kinetic parameters (time scales, coefficients of dynamic friction, diffusion, etc.) for fractal stellar media can differ significantly both qualitatively and quantitatively from the corresponding parameters for a quasi-uniform random media with limited fluctuations. The most important difference is that in the fractal case kinetic parameters depend on spatial scale length and fractal dimension of the medium studied. A generalized kinetic equation for stellar media (fundamental equation of stellar dynamics) is derived in the Fokker-Planck approximation with the allowance for the fractal properties...
Erbium hydride decomposition kinetics.
Ferrizz, Robert Matthew
2006-11-01
Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.
Jaya Sre Varsihini C; Devlina Das; Nilanjana Das
2014-01-01
Response surface methodology (RSM) employing 5-level Box-Behnken design was used to optimize the biosorption of ce-rium(III) onto biowaste materials of animal and plant origin viz. prawn carapace (PC) and corn style (CS). Various process parame-ters viz. pH (A:3.0-9.0), biomass dosage (B:0.05-0.35 g/L), initial metal concentration (C:50-350 mg/L), contact time (D:2-6 h) and temperature (E:20-60 °C) were chosen for optimization. A log transformation was suggested by the Box-Cox plot in the present case. A low p-value of<0.0001 validated the significance of the model. Maximum Ce(III) uptake of 218.3 mg/g for PC and 180.2 mg/g for CS was noted under optimum conditions. Among the equilibrium isotherms, Freundlich model was found to be the best fit-ted one suggesting a heterogeneous mode of biosorption on PC whereas Langmuir model showed the best fit suggesting homogene-ous mode of cerium biosorption on CS. This was further confirmed by scanning electron microscopy (SEM). Kinetic studies showed better applicability of pseudo-first order model suggesting physisorption as phenomena underlying the process. Film-diffusion was suggested by the non-linearity of the Boyd plot. Thermodynamic studies showed that the process was endothermic and spontaneous. FTIR analysis confirmed a major involvement of the participation of amide, amines, ketones and primary alcohol groups during Ce(III) biosorption. EDAX analysis confirmed the major participation of carbon group during Ce(III) biosorption. This was the first report on parameter optimization of Ce(III) biosorption onto biowaste materials using 5-level Box-Behnken experimental design which might be helpful for the recovery of Ce(III) from aqueous environment.
In this study, the effect of temperature on the adsorption of Mn(II), Ni(II), Co(II) and Cu(II) from aqueous solution by modified carrot residues (MCR) was investigated. The equilibrium contact times of adsorption process for each heavy metals-MCR systems were determined. Kinetic data obtained for each heavy metal by MCR at different temperatures were applied to the Lagergren equation, and adsorption rate constants (kads) at these temperatures were determined. These rate constants related to the adsorption of heavy metal by MCR were applied to the Arrhenius equation, and activation energies (Ea) were determined. In addition, the isotherms for adsorption of each heavy metal by MCR at different temperatures were also determined. These isothermal data were applied to linear forms of isotherm equations that they fit the Langmuir adsorption isotherm, and the Langmuir constants (qm and b) were calculated. b constants determined at different temperatures were applied to thermodynamic equations, and thermodynamic parameters such as enthalpy (ΔH), free energy (ΔG), and entropy (ΔS) were calculated and these values show that adsorption of heavy metal on MCR was an endothermic process and process of adsorption was favoured at high temperatures
Guezel, Fuat [Department of Chemistry, Faculty of Education, Dicle University, 21280 Diyarbakir (Turkey)], E-mail: fguzel@dicle.edu.tr; Yakut, Hakan; Topal, Giray [Department of Chemistry, Faculty of Education, Dicle University, 21280 Diyarbakir (Turkey)
2008-05-30
In this study, the effect of temperature on the adsorption of Mn(II), Ni(II), Co(II) and Cu(II) from aqueous solution by modified carrot residues (MCR) was investigated. The equilibrium contact times of adsorption process for each heavy metals-MCR systems were determined. Kinetic data obtained for each heavy metal by MCR at different temperatures were applied to the Lagergren equation, and adsorption rate constants (k{sub ads}) at these temperatures were determined. These rate constants related to the adsorption of heavy metal by MCR were applied to the Arrhenius equation, and activation energies (E{sub a}) were determined. In addition, the isotherms for adsorption of each heavy metal by MCR at different temperatures were also determined. These isothermal data were applied to linear forms of isotherm equations that they fit the Langmuir adsorption isotherm, and the Langmuir constants (q{sub m} and b) were calculated. b constants determined at different temperatures were applied to thermodynamic equations, and thermodynamic parameters such as enthalpy ({delta}H), free energy ({delta}G), and entropy ({delta}S) were calculated and these values show that adsorption of heavy metal on MCR was an endothermic process and process of adsorption was favoured at high temperatures.
Stochastic Optimization Based Study of Dimerization Kinetics
Talukder, Srijeeta; Metzler, Ralf; Banik, Suman K; Chaudhury, Pinaki
2013-01-01
We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end we study a dimerization kinetics of protein as a model system. We follow the dimerization kinetics using a stochastic simulation algorithm and combine it with three different optimization techniques (Genetic Algorithm, Simulated Annealing and Parallel Tempering) to obtain the rate constants involved in each reaction step. We find good convergence of the numerical scheme to the rate constants of the process. We also perform a sensitivity test on the reaction kinetic parameters to see the relative effects of the parameters for the associated profile of the monomer/dimer distribution.
朱红青; 郭艾东; 屈丽娜
2012-01-01
The level of spontaneous combustion danger of coal can be characterized by characteristic temperature or thermal dynamic parameters. In fact, there are often only coal industry parameters in hand, so it is necessary to study the relationship between the parameters characterizing the coal spontaneous combustion danger and the industrial parameters. In order to establish and analyze the relationship, different coal samples were studied through thermo-gravimetric experiments based on a non-isothermal experimental method. The relationships among coal kinetics parameters, characteristic temperatures and volatile under 10 ℃/min heating rate were obtained, the relationships of a volatile and coal oxidation characteristics were revealed. The experimental results show that with the volatile part growing up, the coal combustion temperature characteristics are lower, and the thermal dynamic parameters are lower, and the coal is more esay to be lit, so the risk of coal spontaneous combustion is higher.%通过煤的热动力学参数和特征温度可以表征煤自燃危险程度.而在实际情况中,这些数据缺少,往往只有煤的工业参数.因此,研究工业参数与表征煤自燃危险参数的关系十分必要.为了分析和建立该关系,基于非等温试验方法对不同煤样进行热重试验分析,得出8个煤样在10℃/min升温速率下的反应动力学参数与煤工业分析参数的关系,揭示挥发分与煤的氧化特性、特征温度的关系.试验结果表明:8个煤样的挥发分排序F3＞F8＞F4 ＞F7＞F2＞F1＞F5＞F6,各特征温度排序基本满足T3＜T8＜T4＜T7＜T2＜T1＜T5＜T6,热动力学参数活化能排序E3＜E8＜E4＜E7＜E2 ＜E1 ＜E5 ＜E6,且挥发分与特征温度点、活化能成非成线性关系,由此可以看出挥发分越高,煤燃烧特征温度值越低,热动力学参数值越小,煤越易被点燃,煤的自燃危险性越高.
Wan Ahmad Tajuddin Wan Abdullah; Sidiq Mohamad Khidzir
2007-01-01
We study a minimalist kinetic model for economies. A system of agents with local trading rules display emergent demand behaviour. We examine the resulting wealth distribution to look for non-thermal behaviour. We compare and contrast this model with other similar models.
Oxidative desulfurization: kinetic modelling.
Dhir, S; Uppaluri, R; Purkait, M K
2009-01-30
Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel. PMID:18541367
Oxidative desulfurization: Kinetic modelling
Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H2O2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel
Kreuzer, Hans Jürgen
1986-01-01
This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...
Kinetic distance and kinetic maps from molecular dynamics simulation.
Noé, Frank; Clementi, Cecilia
2015-10-13
Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly interconverting states. Here, we build upon diffusion map theory and define a kinetic distance metric for irreducible Markov processes that quantifies how slowly molecular conformations interconvert. The kinetic distance can be computed given a model that approximates the eigenvalues and eigenvectors (reaction coordinates) of the MD Markov operator. Here, we employ the time-lagged independent component analysis (TICA). The TICA components can be scaled to provide a kinetic map in which the Euclidean distance corresponds to the kinetic distance. As a result, the question of how many TICA dimensions should be kept in a dimensionality reduction approach becomes obsolete, and one parameter less needs to be specified in the kinetic model construction. We demonstrate the approach using TICA and Markov state model (MSM) analyses for illustrative models, protein conformation dynamics in bovine pancreatic trypsin inhibitor and protein-inhibitor association in trypsin and benzamidine. We find that the total kinetic variance (TKV) is an excellent indicator of model quality and can be used to rank different input feature sets. PMID:26574285
Recently, the in vivo processes of platelet function and the reaction and interaction of platelets with components of the blood vessel wall and artificial surfaces have received increasing attention. In this article the focus is placed on two aspects of platelet function and kinetics as revealed by 111In-labelled platelets. First the interaction of platelets with foreign prosthetic surfaces is discussed and some interesting facets of platelet functions that have come to light, are pointed out. Secondly, experiences with the development and refinement of an improved technique, namely the dual-isotope subtraction method, which increases the sensitivity of platelet imaging and allows the detection of relatively small areas of platelet deposition with accuracy, are described
A Comprehensive Enzyme Kinetic Exercise for Biochemistry
Barton, Janice S.
2011-01-01
This article describes a comprehensive treatment of experimental enzyme kinetics strongly coupled to electronic data acquisition and use of spreadsheets to organize data and perform linear and nonlinear least-squares analyses, all in a manner that promotes development of important reasoning skills. Kinetic parameters are obtained for the stable…
Maria Célia Lopes Torres
2004-06-01
Full Text Available Este estudo teve como objetivos avaliar a indução da Glutationa S-Transferase, com extratos de vegetais, e caracterizar os parâmetros cinéticos desta enzima. Foram obtidos os extratos aquoso, etanólico e hexanólico de vegetais, amplamente consumidos no Brasil, como berinjela (Solanum melongena L., couve-flor (Brassica oleracea L., couve (Brassica oleracea L., brócolis (Brassica oleracea L., couve-de-bruxelas (Brassicaoleraea L., cebola (Allium cepa L., alho (Allium sativum L.; vegetais que apresentam gosto amargo, como jiló (Solanum gilo Raddi, guariroba (Syagrus oleracea Becc., mostarda (Brassica nigra L., carqueja (Cacalia spp., e de plantas relacionadas, na cultura popular, como curadoras de determinadas doenças, como a babosa (Aloe vera L.. A atividade da enzima foi determinada usando como substrato o 1 cloro 2, 4 dinitrobenzeno, na presença dos extratos vegetais. A mistura da reação, sem a presença do extrato, foi considerada controle. Das amostras de vegetais avaliadas, a berinjela, a couve e o brócolis apresentaram maior indução na atividade da GST, sendo o extrato etanólico o mais eficaz. A enzima apresentou um Vmax de 0,016 abs. min-1/unidade da enzima e um Km de 0,323mM. O baixo valor de Km encontrado indica uma alta especificidade da enzima pelo substrato 1 cloro 2, 4 dinitrobenzeno e a atividade máxima da enzima foi na faixa de pH entre 6,5 e 7,0.This study was done to evaluate induction Glutathione S-Transferase, with vegetable extracts, and characterize its kinetics parameters. The aqueous, alcoholic, and hexanoic extracts were obtained from vegetables widely consumed in Brazil: eggplant (Solanum melongena L., cauliflower (Brassica oleracea L., cauli leaves (Brassica oleracea L., broccoli (Brassica oleracea L., Brussels sprout (Brassicaoleraea L., onions (Allium cepa L., garlic (Allium sativum L.; and bitter tasting vegetable such as jiló (Solanum gilo Raddi, guariroba (Syagrus oleracea Becc., black mustard
Numerical optimisation for model evaluation in combustion kinetics
Fischer, Marc; Jiang, Xi
2015-01-01
Numerical optimisation related to the estimation of kinetic parameters and model evaluation is playing an increasing role in combustion as well as in other areas of applied energy research. The present work aims at presenting the current probability-based approaches along applications to real problems of combustion chemical kinetics. The main methods related to model and parameter evaluation have been explicated. An in-house program for the systematic adjustment of kinetic parameters to exper...
The kinetics of the hydrogen chloride oxidation
Gonzalez Martinez Isai
2013-01-01
Full Text Available Hydrogen chloride (HCl oxidation has been investigated on technical membrane electrode assemblies in a cyclone flow cell. Influence of Nafion loading, temperature and hydrogen chloride mole fraction in the gas phase has been studied. The apparent kinetic parameters like reaction order with respect to HCl, Tafel slope and activation energy have been determined from polarization data. The apparent kinetic parameters suggest that the recombination of adsorbed Cl intermediate is the rate determining step.
Probability representation of kinetic equation for open quantum system
Man'ko, V I; Shchukin, E V
2003-01-01
The tomographic probability distribution is used to decribe the kinetic equations for open quantum systems. Damped oscillator is studied. Purity parameter evolution for different damping regime is considered.
Fauze A. Aouada
2009-01-01
Full Text Available In this paper, the effects of acrylamide (AAm, methylcellulose (MC contents, pH and ionic strength on kinetic, network and hydrophilic properties of polyacrylamide and methylcellulose hydrogels were investigated. The hydrogels were characterized by evaluating of network [average molecular weight between crosslinks (M C, crosslink density (q and the number of elastically effective chains (Ve], and kinetic parameters [diffusional exponent (n, diffusion constant (k and diffusion coefficient (D]. Such properties were controlled by adjusting of the AAm, MC contents, pH and ionic strength factors. Due to high hydrophilicity and fast water-uptake, the PAAm-MC hydrogels can be considered as materials for potential applications in agricultural fields, mainly in controlled release of water or pesticides.
胡春平; 颜学峰
2009-01-01
A new version of differential evolution(DE)algorithm,in which immurle concepts and methods are applied to determine the parameter setting.named immune self-adaptive difierential evolution(ISDE),iS proposed to improve the performance of the DE algorithm.During the actual operation.ISDE seeks the optimal parameters arising from the evolutionary process.which enable ISDE to alter the algorithm for different optimization problems and improve the performance Of ISDE bv the control parameters'self-adaptation.The performance of the proposed method is studied with the use of nine benchmark problems and compared with original DE algorithm and other well-known self-adaptive DE algorithms.The experiments conducted show that the ISDE clearly outperforms the othcr DE algorithms in all benchmark functions.Furthermore.ISDE iS applied to develop the kinetic model for homogeneous mercury (Hg) oxidation in tlue gas,and satistactory results are obtained.
Kinetics of Pressurized Water Reactors with Hot or Cold Moderators
The set of neutron kinetic equations developed in this report permits the use of long integration steps during stepwise integration. Thermal relations which describe the transfer of heat from fuel to coolant are derived. The influence upon the kinetic behavior of the reactor of a number of parameters is studied. A comparison of the kinetic properties of the hot and cold moderators is given
Cristiane Mita
2008-07-01
Full Text Available Entomopathogenic fungus Beauveria bassiana is currently used as a biocontrol agent for agricultural pests. The infection process involves extracellular enzymes such as proteases and chitinases that degrade the cuticle of the insects. The objective of this work was to evaluate kinetic parameters of pH, temperature, ionic concentration and time of reaction on chitinases activity. The fungus B. bassiana CG432 was cultivated on coffee berry borer Hypothenemus hampei (Ferrari and the conidia grown on insect were used to prepare the inoculum containing 108conídia/mL. These conidia were inoculated at 1% (v/v in culture liquid medium containing D-glucose (10g, yeast extract (5g, NaNO3 (1,58g, Na2HPO4.7H2O (1,05g, KCl (1g, MgSO4.7H2O (0,6g and KH2PO4 (0,36g per liter. The cultivation was carried at 28°C and 180rpm during 5 days. Culture fluid was obtained by filtration and centrifugation at 8.000g, and the chitinases were isolated and concentrated by ultrafiltration using 10 and 100kDa cut off membranes under nitrogen pressure. Chitinase activity was detected and quantified using N-acetylglucosamine released by hydrolysis of colloidal chitin at 40 to 60ºC, at 50, 100 and 200 mM ionic concentrations of buffers sodium acetate (pH 4.0 to 6.0; sodium phosphate (pH 6.0 to 8.0; and Glycine-NaOH (pH 8.0 to 10.0 during 60 minutes. Maximum chitinase activity was at 45ºC and pH 5.5, and was also high at pH 6.0 and pH 8.5 using 50mM buffer. The chitinase activity increased and was stable during an hour at optimum conditions of the reaction, shown the stable nature of this enzyme.Beauveria bassiana é um fungo entomopatogênico utilizado no controle biológico de insetos-praga que infestam produtos agrícolas. O mecanismo de infecção envolve a produção de enzimas extracelulares, como proteases e quitinases que degradam a cutícula dos insetos. O objetivo deste trabalho foi avaliar parâmetros cinéticos de pH, temperatura, concentração iônica e tempo de
Saffman-Taylor fingers with kinetic undercooling
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.
Stochastic optimization-based study of dimerization kinetics
Srijeeta Talukder; Shrabani Sen; Ralf Metzler; Suman K Banik; Pinaki Chaudhury
2013-11-01
We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end, we study dimerization kinetics of protein as a model system. We follow the dimerization kinetics using a stochastic simulation algorithm and combine it with three different optimization techniques (genetic algorithm, simulated annealing and parallel tempering) to obtain the rate constants involved in each reaction step. We find good convergence of the numerical scheme to the rate constants of the process. We also perform a sensitivity test on the reaction kinetic parameters to see the relative effects of the parameters for the associated profile of the monomer/dimer distribution.
孙新; 曾卫东; 张志金; 贾志强; 徐建伟
2015-01-01
对TC17合金在820和860℃下进行等温锻造，随后在相同温度下进行热处理10 min~8 h，利用定量金相法研究变形量、热处理温度等工艺参数对片状α相静态球化的影响规律。结果表明：随着变形量的增加，在随后热处理过程中片状α相更容易发生晶界分离而形成球化组织，球化速率明显提高。温度影响扩散过程，对静态球化有促进作用，且在应变较低时影响更为明显。在球化率随热处理时间增大的同时，球化速率逐渐减小至常值， JMAK方程可以用来描述TC17合金静态球化的规律。%The isothermal compression of TC17 alloy at 820 and 860℃, andsubsequently annealing for 10 min−8 h were conducted, and the effects of deformation degree, annealing temperature and annealing time on static globularization of TC17 titanium alloy were investigated. The results show that the deformation degree greatly influences the boundary splitting, so that the static globularization kinetics ofα phase increases with increasing deformation degrees. As a thermally activated process, the diffusivity of solutes is determined by annealing temperature. Thus, the static globularization can be accelerated by increasing the temperature, especially when the strain is low. Meanwhile, globularization ratio increases while static globularization kinetics decrease to a constant with increasing the annealing time. The JMAK equation can be used to describe the static globularization kinetics.
Kinetic comparisons of mesophilic and thermophilic aerobic biomass
Vogelaar, J.C.T.; Klapwijk, A.; Temmink, H.; Lier, van J.B.
2003-01-01
Kinetic parameters describing growth and decay of mesophilic (30degreesC) and thermophilic (55degreesC) aerobic biomass were determined in continuous and batch experiments by using oxygen uptake rate measurements
Kinetic parameters describing growth and decay of mesophilic (30degreesC) and therm
An improved evaluation method for fault tree kinetic analysis
By means of the exclusive sum of products of a fault tree, the improved method uses the basic event parameters direct in the synthetic evaluation and makes the fault tree kinetic analysis more simple. This paper provides a reasonable evaluation method for the kinetic analysis of basic events which has parameters of the synthetic distribution, too
Kinetic modeling of BN deposition by PECVD
We present kinetic modeling of BN deposition by PECVD in the system B-N-H-X where X represents the gases F, Cl, Br or O, respectively. In the first step the thermodynamic data as well as kinetic coefficients are collected from literature and compared with each others. The kinetic coefficients also include the most important plasma reactions. With data set up selected calculations were performed in the program ''CHEMKIN''. Kinetic modeling was executed with the perfectly stirred reactor model. This model requires modeling of volume reactions as well as reactions on the surface. The rate coefficients for the surface reactions are investigated through parameter studies. Results of these parameter studies are compared with data known from experiments to obtain the probably way of reaction mechanisms. Data from kinetic modeling are also compared with results from calculations in thermodynamic equilibrium. Results of kinetic and equilibrium modeling show that the range where BN can be deposited is very sensitive to the mole fraction of the species X which is used. Using oxygen as well as fluorine there exist only few parameter compositions to deposit BN. These parameter sets are very important in relation to possible etching effects in PECVD of c-BN deposition
Determining anaerobic degradation kinetics from batch tests.
Moreda, Iván López
2016-01-01
Data obtained from a biomethane potential (BMP) test were used in order to obtain the parameters of a kinetic model of solid wastes anaerobic degradation. The proposed model considers a hydrolysis step with a first order kinetic, a Monod kinetic for the soluble organic substrate degradation and a first order decay of microorganisms. The instantaneous release of methane was assumed. The parameters of the model are determined following a direct search optimization procedure. A 'multiple-shooting' technique was used as a first step of the optimization process. The confidence interval of the parameters was determined by using Monte Carlo simulations. Also, the distribution functions of the parameters were determined. Only the hydrolysis first order constant shows a normal distribution. PMID:27191569
Lumping procedure for a kinetic model of catalytic naphtha reforming
H. M. Arani
2009-12-01
Full Text Available A lumping procedure is developed for obtaining kinetic and thermodynamic parameters of catalytic naphtha reforming. All kinetic and deactivation parameters are estimated from industrial data and thermodynamic parameters are calculated from derived mathematical expressions. The proposed model contains 17 lumps that include the C6 to C8+ hydrocarbon range and 15 reaction pathways. Hougen-Watson Langmuir-Hinshelwood type reaction rate expressions are used for kinetic simulation of catalytic reactions. The kinetic parameters are benchmarked with several sets of plant data and estimated by the SQP optimization method. After calculation of deactivation and kinetic parameters, plant data are compared with model predictions and only minor deviations between experimental and calculated data are generally observed.
Oxidation kinetics of aluminum diboride
The oxidation characteristics of aluminum diboride (AlB2) and a physical mixture of its constituent elements (Al+2B) were studied in dry air and pure oxygen using thermal gravimetric analysis to obtain non-mechanistic kinetic parameters. Heating in air at a constant linear heating rate of 10 °C/min showed a marked difference between Al+2B and AlB2 in the onset of oxidation and final conversion fraction, with AlB2 beginning to oxidize at higher temperatures but reaching nearly complete conversion by 1500 °C. Kinetic parameters were obtained in both air and oxygen using a model-free isothermal method at temperatures between 500 and 1000 °C. Activation energies were found to decrease, in general, with increasing conversion for AlB2 and Al+2B in both air and oxygen. AlB2 exhibited O2-pressure-independent oxidation behavior at low conversions, while the activation energies of Al+2B were higher in O2 than in air. Differences in the composition and morphology between oxidized Al+2B and AlB2 suggested that Al2O3–B2O3 interactions slowed Al+2B oxidation by converting Al2O3 on aluminum particles into a Al4B2O9 shell, while the same Al4B2O9 developed a needle-like morphology in AlB2 that reduced oxygen diffusion distances and increased conversion. The model-free kinetic analysis was critical for interpreting the complex, multistep oxidation behavior for which a single mechanism could not be assigned. At low temperatures, moisture increased the oxidation rate of Al+2B and AlB2, but both appear to be resistant to oxidation in cool, dry environments. - Graphical abstract: Isothermal kinetic data for AlB2 in air, showing a constantly decreasing activation energy with increasing conversion. Model-free analysis allowed for the calculation of global kinetic parameters despite many simultaneous mechanisms occurring concurrently. (a) Time–temperature plots, (b) conversion as a function of time, (c) Arrhenius plots used to calculate activation energies, and (d) activation energy
Hydrogen electrode reaction: A complete kinetic description
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
Hydrogen electrode reaction: A complete kinetic description
Quaino, P.M. [Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829, 3000 Santa Fe (Argentina); Gennero de Chialvo, M.R. [Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829, 3000 Santa Fe (Argentina); Chialvo, A.C. [Programa de Electroquimica Aplicada e Ingenieria Electroquimica (PRELINE), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santiago del Estero 2829, 3000 Santa Fe (Argentina)]. E-mail: achialvo@fiqus.unl.edu.ar
2007-09-15
The kinetic description of the hydrogen electrode reaction (HER) in the whole range of overpotentials (-0.2 < {eta} (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.
Ozone mass transfer and kinetics experiments
Bollyky, L.J.; Beary, M.M.
1981-12-01
Experiments were conducted at the Hanford Site to determine the most efficient pH and temperature levels for the destruction of complexants in Hanford high-level defense waste. These complexants enhance migration of radionuclides in the soil and inhibit the growth of crystals in the evaporator-crystallizer. Ozone mass transfer and kinetics tests have been outlined for the determination of critical mass transfer and kinetics parameters of the ozone-complexant reaction.
Ozone mass transfer and kinetics experiments
Experiments were conducted at the Hanford Site to determine the most efficient pH and temperature levels for the destruction of complexants in Hanford high-level defense waste. These complexants enhance migration of radionuclides in the soil and inhibit the growth of crystals in the evaporator-crystallizer. Ozone mass transfer and kinetics tests have been outlined for the determination of critical mass transfer and kinetics parameters of the ozone-complexant reaction
Gorban, A. N.; Karlin, I. V.
2003-01-01
Nonlinear kinetic equations are reviewed for a wide audience of specialists and postgraduate students in physics, mathematical physics, material science, chemical engineering and interdisciplinary research. Contents: The Boltzmann equation, Phenomenology and Quasi-chemical representation of the Boltzmann equation, Kinetic models, Discrete velocity models, Direct simulation, Lattice Gas and Lattice Boltzmann models, Minimal Boltzmann models for flows at low Knudsen number, Other kinetic equati...
Thermoluminescence glow-curve deconvolution (GCD) functions are proposed for first, second and general orders of kinetics. The free parameters of the GCD functions are the maximum peak intensity (Im) and the maximum peak temperature (Tm), which can be obtained experimentally. The activation energy (E) and the order of kinetics (b) in the case of general order kinetics are the additional free parameters. (author)
Extracting kinetic information from literature with KineticRE.
Freitas, Ana Alão; Costa, Hugo; Rocha, Miguel; Rocha, Isabel
2015-01-01
To better understand the dynamic behavior of metabolic networks in a wide variety of conditions, the field of Systems Biology has increased its interest in the use of kinetic models. The different databases, available these days, do not contain enough data regarding this topic. Given that a significant part of the relevant information for the development of such models is still wide spread in the literature, it becomes essential to develop specific and powerful text mining tools to collect these data. In this context, this work has as main objective the development of a text mining tool to extract, from scientific literature, kinetic parameters, their respective values and their relations with enzymes and metabolites. The approach proposed integrates the development of a novel plug-in over the text mining framework @Note2. In the end, the pipeline developed was validated with a case study on Kluyveromyces lactis, spanning the analysis and results of 20 full text documents. PMID:26673933
A.R.G.F. Bezerra
2005-08-01
Full Text Available Parâmetros cinéticos da degradação ruminal de alguns alimentos utilizados para ruminantes de zoológicos foram estimados mediante incubação in vitro com líquido ruminal de audade (Ammotragus lervia, cervo sambar (Cervus unicolor, elande (Taurotragus oryx, bovino (Bos taurus, bubalino (Bubalus bubalis, caprino (Capra hircus e ovino (Ovis aries. Os parâmetros cinéticos foram estimados pela técnica da produção de gás, cujos dados foram ajustados pelos modelos de um e de duplo compartimento. Não foram detectadas diferenças nos parâmetros cinéticos que permitissem agrupar os alimentos (fibrosos × não fibrosos e os animais (domésticos × silvestres. O modelo de duplo compartimento foi o mais adequado para a estimação dos parâmetros cinéticos da degradação ruminal. Inóculo microbiano oriundo de ruminantes domésticos não é recomendado para estimar parâmetros cinéticos da degradação ruminal de alimentos utilizados para ruminantes silvestres de zoológicos.The estimation of the ruminal kinetic parameters of pumpkin, potato-sweet, beet, broccoli, carrot, alfalfa hay, alfalfa pellet and bean, currently used for feeding wild and domestic ruminants raised in the Rio de Janeiro Zoo, was made through in vitro incubation of the feedstuffs together with ruminal fluid obtained from aoudad (Ammotragus lervia, sambar deer (Cervus unicolor, eland (Taurotragus oryx, cattle (Bos taurus, buffalo (Bubalus bubalis, goat (Capra hircus and sheep (Ovis aries. The gas production technique was used to obtain gas profiles, and the data were fitted by the mono or double compartmental model. The kinetic parameters were discrepant among both, animals and feedstuffs, and the double compartmental model gave the best estimation. Ruminal inocula from domestic ruminants can not be used to estimate the kinetic parameters of ruminal degradation of feedstuffs for wild ruminants.
Kinetic Modeling of Esterification of Ethylene Glycol with Acetic Acid
The reaction kinetics of the esterification of ethylene glycol with acetic acid in the presence of cation exchange resin has been studied and kinetic models based on empirical and Langmuir approach has been developed. The Langmuir based model involving eight kinetic parameters fits experimental data much better compared to empirical model involving four kinetic parameters. The effect of temperature and catalyst loading on the reaction system has been analyzed. Further, the activation energy and frequency factor of the rate constants for Langmuir based model has been estimated.
Rethinking hydrogen-bond kinetics
Prada-Gracia, Diego
2013-01-01
At the fundamental level, our understanding of water hydrogen-bond dynamics has been largely built on the detailed analysis of classical molecular simulations. The latter served to develop a plethora of hydrogen bond definitions based on different properties, including geometrical distances, topology and energetics. Notwithstanding, no real consensus emerged from these approaches, making the development of a consistent and reliable definition elusive. In this contribution, a framework to study hydrogen bonds in liquid water based purely on kinetics is presented. This approach makes use of the analysis of commitment probabilities without relying on arbitrarily chosen order parameters and cutoffs. Our results provide evidence for a self-consistent description, resulting in a clear multi-exponential behavior of the kinetics.
On fast reactor kinetics studies
Seleznev, E. F.; Belov, A. A. [Nuclear Safety Inst. of the Russian Academy of Sciences IBRAE (Russian Federation); Matveenko, I. P.; Zhukov, A. M.; Raskach, K. F. [Inst. for Physics and Power Engineering IPPE (Russian Federation)
2012-07-01
The results and the program of fast reactor core time and space kinetics experiments performed and planned to be performed at the IPPE critical facility is presented. The TIMER code was taken as computation support of the experimental work, which allows transient equations to be solved in 3-D geometry with multi-group diffusion approximation. The number of delayed neutron groups varies from 6 to 8. The code implements the solution of both transient neutron transfer problems: a direct one, where neutron flux density and its derivatives, such as reactor power, etc, are determined at each time step, and an inverse one for the point kinetics equation form, where such a parameter as reactivity is determined with a well-known reactor power time variation function. (authors)
Morales R, P.; Vallarino K, T.; Cruz V, V.; Delgadillo H, A. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)
2003-07-01
The objective of the present work was to establish pharmacokinetic parameters of the C Mitomycin (MMC) in vivo, comparing its kinetics of induction of polychromatic micro nucleate erythrocytes (EPGMN) with that of the gamma radiation. The used doses were of 0.75; 1.5 and 3. 0 {mu}moles/kg of MMC. It was observed that the MMC produces MN in the first cycle of cellular division and it is independent of the cytotoxic effect. This agent requires of a relatively long period of latency that is not compatible with her great reactivity, for what the pharmacokinetic values obtained in fact reflect the time that takes the processing of leisure in the DNA and the subsequent induction of ruptures that produce MN. (Author)
Cláudio Milton Montenegro Campos; Bruno Botelho Saléh; Fernanda Ribeiro do Carmo
2005-01-01
The present work aimed at determining and evaluating the kinetic parameters from the UASB reactor treating swine manure effluent in a lab-scale experiment. The research was carried out in the Laboratory of Water Analysis at the Engineering Department (LAADEG) at the campus of Federal University of Lavras - UFLA. The system was assembled with an acidification and equalization tank (AET), an UASB reactor and an aerated facultative pond (AFP). The hydraulic retention time (HRT) adopted in the UA...
Space-time reactor kinetics for heterogeneous reactor structure
An attempt is made to formulate time dependent diffusion equation based on Feinberg-Galanin theory in the from analogue to the classical reactor kinetic equation. Parameters of these equations could be calculated using the existing codes for static reactor calculation based on the heterogeneous reactor theory. The obtained kinetic equation could be analogues in form to the nodal kinetic equation. Space-time distribution of neutron flux in the reactor can be obtained by solving these equations using standard methods
Introduction to chemical kinetics
Soustelle, Michel
2013-01-01
This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental re
SKIN KINETICS AND DERMAL CLEARANCE
Prakash Shashi
2012-08-01
Full Text Available Availability of several therapeutic and cosmetic formulations for topical application has made the research on skin kinetics as a topic of current interest. Topical formulations are typically meant for local effect although there is always a chance that the low molecular weight chemicals are easily transported across the skin layer and make it available in the systemic circulation. Thus there is a major concern about the transport of chemical moieties following the topical application of cosmetics and therapeutic formulations and the real time measurement of the molecules in the skin layer has become obligatory. It is well known that the properties of both drug and the excipients have identical role in determining the skin permeability of chemical moieties. In the last decade several investigations have been carried out in this filed using several in vitro and in vivo models. This review provides a brief account on the basics of skin kinetics, parameters assessed, various techniques and methods adapted in skin kinetic studies. Moreover, we have also discussed about the micro-environment inside the skin layer and the possible mechanism of drug depot formation, skin metabolism and clearance of molecules from the skin layers.
Fribrinolysis Kinetics and Its Application
WEI Wenning; YANG Rui; GUO Tao; YANG Yan; HU Yu
2007-01-01
A new, convenient, and rapid method for kinetic measurement of human fibrinolysis was established. The alteration of absorbance (A) in the process of blood coagulation and lyses was automatically scanned and recorded using a UV2000 spectrophotometer connected to a computer. The parameters of human fibrinolysis kinetics were established. Urokinase at 20 U/mL was the optimal concentration used. There was significant difference in fibrinolysis kinetics and plasma plasminogen concentration between 22 normal subjects and 27 patients with acute myeloblastic leukemia (P＜0.05 and ＜0.01 respectively). The coefficience of variation was (5.24±1.51)%. This method could also be used to measure the plasma fibrinogen concentration at the same time. It was concluded that this method was stable and was capable of providing dynamic, direct experimental data and multiparemeters for clinicians. It was also valuable in evaluating the anti- and pro-fibrinolytic capcity of patients' plasmas, allowing for monitoring of therapy, choice of drugs and adjustment of drug concentrations.
A method was developed to measure simultaneously (1) the rate constants for glucose influx and glucose efflux, and (2) the Michaelis-Menten constant (Ksub(M)) and maximal velocity (νsub(max)) for glucose transport across the blood-brain barrier (BBB) in any selected brain area. Moreover, on the basis of a mathematical model, the local perfusion rate (LPR) and local unidirectional glucose transport rate (LUGTR) are calculated in terms of parameters of the time-activity curves registered over different brain regions; 11C-methyl-D-glucose (CMG) is used as an indicator. The transaxial distribution of activity in the organism is registered using dynamic positron-emission tomography (dPET). The method was used in 4 normal subjects and 50 patients with ischemic brain disease. In normals, the rate constant for CMG efflux was found to be 0.25+-0.04 min-1 in the cortex and 0.12+-0.02 min-1 in white matter. In the cortex, the Ksub(M) was found to be 6.42 μmol/g and the Vsub(max) was 2.46 μmol/g per minute. The LUGTR ranged from 0.43 to 0.6 μmol/g per minute in white matter. The LPR was calculated to be 0.80-0.98 ml/g per minute for the cortex and 0.2-0.4 ml/g per minute for white matter. In patients with stroke, the ischemic defects appeared to be larger in CMG scans than in computed tomography (CT) scans. Prolonged reversible ischemic neurological deficit was associated with a significant fall in the LUGTR but not change in the LPR in the corresponding cerebral cortex. Normal LUGTR and significantly decreased LPR were registered in a patient with progressive occulsion of the middle cerebral artery. In a patient with transient ischemic attacks, a slightly reduced LPR and a disproportionally reduced LUGTR were observed before operation. After extra- and intracranial bypass surgery, the LPR became normal, whereas the LUGTR increased but did not achieve normal values. (orig.)
Kinetics of the Exothermic Decomposition Reaction of s-Tripicryaminotrinitrobenzene
ZHAO Feng-qi; HU Rong-zu; GAO Hong-xu; LUO Yang; GAO Sheng-li; SONG Ji-rong; SHI Qi-zhen
2007-01-01
The kinetic parameters of the exothermic decomposition reaction of s-Tripicryaminotrinitrobenzene under linear temperature rise condition are studied by means of DSC. The results show that the empirical kinetic model function in difs-1, respectively. The critical temperature of thermal explosion of the compound is 267.36 ℃.
Hot forming recrystallization kinetics in steel
J. Kliber
2010-01-01
Full Text Available The theory of kinetics of static recrystallization of steel during hot forming links the phenomenon to certain critical strain, grain size, strain rate, activation energy and temperature. The basic description is provided by the Avrami equation. An overview of equations used was compiled and comments on selected parameters prepared.
Hot forming recrystallization kinetics in steel
J. Kliber; Fabík, R.; Vitez, I.; Drozd, K.
2010-01-01
The theory of kinetics of static recrystallization of steel during hot forming links the phenomenon to certain critical strain, grain size, strain rate, activation energy and temperature. The basic description is provided by the Avrami equation. An overview of equations used was compiled and comments on selected parameters prepared.
Zebin Wang
2012-04-01
Full Text Available A response study and the effects of different parameters (pH, temperature and enzyme dose on kinetics of isolated soy protein hydrolysis by a trypsin-like endopeptidase (TL1 were conducted. Degree of hydrolysis (%DH data varied at different times under different hydrolysis conditions. Fitting the kinetics data to Michaelis-Menten kinetics model did not result in reasonable kinetic parameters, which implied that Michaelis-Menten kinetics was invalid for such a hydrolysis process. A kinetics model proposed by (Gonzalez-Tello, Camacho, Jurado, Paez, & Guadix, 1994 was found to fit the kinetics curve well and resulted in acceptable model parameters. A simple simulation example was performed to demonstrate the concept of how the kinetics equation could be applied in process engineering.
Swanson, Donald Gary
2008-01-01
Developed from the lectures of a leading expert in plasma wave research, Plasma Kinetic Theory provides the essential material for an introductory course on plasma physics as well as the basis for a more advanced course on kinetic theory. Exploring various wave phenomena in plasmas, it offers wide-ranging coverage of the field. After introducing basic kinetic equations and the Lenard–Balescu equation, the book covers the important Vlasov–Maxwell equations. The solutions of these equations in linear and quasilinear approximations comprise the majority of kinetic theory. Another main topic in kinetic theory is to assess the effects of collisions or correlations in waves. The author discusses the effects of collisions in magnetized plasma and calculates the different transport coefficients, such as pressure tensor, viscosity, and thermal diffusion, that depend on collisions. With worked examples and problem sets that enable sound comprehension, this text presents a detailed, mathematical approach to app...
Non-kinetic capabilities: complementing the kinetic prevalence to targeting
Ducheine, P.
2014-01-01
Targeting is used in military doctrine to describe a military operational way, using (military) means to influence a target (or addressee) in order to achieve designated political and/or military goals. The four factors italicized are used to analyse non-kinetic targeting, complementing our knowledge and understanding of the kinetic prevalence. Paradoxically, non-kinetic targeting is not recognized as a separate concept: kinetic and non-kinetic are intertwined facets of targeting. Kinetic tar...
Oxidation kinetics of aluminum diboride
Whittaker, Michael L.; Sohn, H. Y.; Cutler, Raymond A.
2013-11-01
The oxidation characteristics of aluminum diboride (AlB2) and a physical mixture of its constituent elements (Al+2B) were studied in dry air and pure oxygen using thermal gravimetric analysis to obtain non-mechanistic kinetic parameters. Heating in air at a constant linear heating rate of 10 °C/min showed a marked difference between Al+2B and AlB2 in the onset of oxidation and final conversion fraction, with AlB2 beginning to oxidize at higher temperatures but reaching nearly complete conversion by 1500 °C. Kinetic parameters were obtained in both air and oxygen using a model-free isothermal method at temperatures between 500 and 1000 °C. Activation energies were found to decrease, in general, with increasing conversion for AlB2 and Al+2B in both air and oxygen. AlB2 exhibited O2-pressure-independent oxidation behavior at low conversions, while the activation energies of Al+2B were higher in O2 than in air. Differences in the composition and morphology between oxidized Al+2B and AlB2 suggested that Al2O3-B2O3 interactions slowed Al+2B oxidation by converting Al2O3 on aluminum particles into a Al4B2O9 shell, while the same Al4B2O9 developed a needle-like morphology in AlB2 that reduced oxygen diffusion distances and increased conversion. The model-free kinetic analysis was critical for interpreting the complex, multistep oxidation behavior for which a single mechanism could not be assigned. At low temperatures, moisture increased the oxidation rate of Al+2B and AlB2, but both appear to be resistant to oxidation in cool, dry environments.
Saffman-Taylor fingers with kinetic undercooling
Gardiner, Bennett P J; Dallaston, Michael C; Moroney, Timothy J
2015-01-01
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 regularisation 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 penalise high velocities and prevent blow-up of the unregularised 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 analogue with surface tens...
Modelling heart rate kinetics.
Maria S Zakynthinaki
Full Text Available The objective of the present study was to formulate a simple and at the same time effective mathematical model of heart rate kinetics in response to movement (exercise. Based on an existing model, a system of two coupled differential equations which give the rate of change of heart rate and the rate of change of exercise intensity is used. The modifications introduced to the existing model are justified and discussed in detail, while models of blood lactate accumulation in respect to time and exercise intensity are also presented. The main modification is that the proposed model has now only one parameter which reflects the overall cardiovascular condition of the individual. The time elapsed after the beginning of the exercise, the intensity of the exercise, as well as blood lactate are also taken into account. Application of the model provides information regarding the individual's cardiovascular condition and is able to detect possible changes in it, across the data recording periods. To demonstrate examples of successful numerical fit of the model, constant intensity experimental heart rate data sets of two individuals have been selected and numerical optimization was implemented. In addition, numerical simulations provided predictions for various exercise intensities and various cardiovascular condition levels. The proposed model can serve as a powerful tool for a complete means of heart rate analysis, not only in exercise physiology (for efficiently designing training sessions for healthy subjects but also in the areas of cardiovascular health and rehabilitation (including application in population groups for which direct heart rate recordings at intense exercises are not possible or not allowed, such as elderly or pregnant women.
Kinetic mixing and the supersymmetric gauge hierarchy
The most general Lagrangian for a model with two U(1) gauge symmetries contains a renormalizable operator which mixes their gauge kinetic terms. Such kinetic mixing can be generated at arbitrarily high scales but will not be suppressed by large masses. In models whose supersymmetry (SUSY)-breaking hidden sectors contain U(1) gauge factors, we show that such terms will generically arise and communicate SUSY breaking to the visible sector through mixing with hypercharge. In the context of the usual supergravity- or gauge-mediated communication scenarios with D-terms of order the fundamental scale of SUSY breaking, this effect can destabilize the gauge hierarchy. Even in models for which kinetic mixing is suppressed or the D-terms are arranged to be small, this effect is a potentially large correction to the soft scalar masses and therefore introduces a new measurable low-energy parameter. We calculate the size of kinetic mixing both in field theory and in string theory, and argue that appreciable kinetic mixing is a generic feature of string models. We conclude that the possibility of kinetic mixing effects cannot be ignored in model building and in phenomenological studies of the low-energy SUSY spectra. (orig.)
Bruno Botelho Saléh
2009-01-01
Full Text Available O objeto desta pesquisa foi à obtenção e avaliação dos parâmetros cinéticos do reator anaeróbio de manta de lodo (UASB-Upflow Anaerobic Sludge Blanket na remoção da carga orgânica poluidora dos despejos da atividade laticinista. O sistema com suas principais unidades foi composto de tratamento preliminar (caixa de areia e flotadores,tanque de contato (TC, reator UASB, filtro anaeróbio (FAB e lodo ativo em batelada (LAB. Os TDH’s (tempos de detenção hidráulicos e a temperatura adotados para o reator UASB foram de 44, 35, 30, 26 e 20h após a fase de estabilização do sistema, com temperatura média de 24,8ºC ± 1,8ºC. O volume do reator era de 394 L. A partir dos dadosDQOT (mg L-1, Sólidos Totais Fixos e Voláteis (mg L-1, Temperatura (°C, Vazão (L dia-1 e Perfil de Lodo no reator (Sólidos Voláteis Totais em mg L-1, monitorados durante todo o período de pesquisa na estação-piloto, em cada um dos tempos de detenção hidráulicos(TDH’s no reator UASB, foi conduzido o estudo para obtenção dos parâmetros cinéticos: coeficiente de crescimento ‘Y’ (mg DQO mg SVT-1 d-1, coeficiente de decaimento ‘Kd’ (d-1, taxa máxima de crescimento ‘μmáx’ (d-1 e concentração de substrato limitante ‘Ks’ (mg DQO L-1. Os parâmetros cinéticos determinados se basearam em estudos de regressão linear para determinação de Y, Kd, μmáx e Ks, respectivamente, dando, assim, respaldo técnico-científicoaos dados físico-químicos levantados durante a operacionalização do sistema.The goal of this research was to obtain and withdraw the kinetic parameters from an Upflow Anaerobic Sludge Blanket – UASB in removing the organic load from the waste by-product of a dairy activity. The treatment system was composed of a Sand Interceptor (Grit Chamber, Grease Intercept Chambers, Stirred Contact Tank (CT, a UASB reactor, Anaerobic Filter (AF, and Batch Activated Sludge System (BASS. The HRT (Hydraulic Retention Time and
The kinetic modelling from domestic ores using software tools
Krstev, Aleksandar; Krstev, Boris; Gocev, Zivko; Golomeov, Blagoj; Golomeova, Mirjana; Zendelska, Afrodita
2013-01-01
To improve kinetic models, many first - order flotation kinetics models with distributions of flotation rate constants were redefined so that they could all be represented by the same set of three model parameters. As a result, the width of the distribution become independent of its mean, and parameters of the model and the curve fitting errors, became virtually the same, independent of the chosen distribution function. In our case, investigations of the chalcopyrite ores are carried out usin...
Kinetics of phase transformations
This volume contains papers presented at the Materials Research Society symposium on Kinetics of Phase Transformations held in Boston, Massachusetts from November 26-29, 1990. The symposium provided a forum for research results in an exceptionally broad and interdisciplinary field. Presentations covered nearly every major class of transformations including solid-solid, liquid-solid, transport phenomena and kinetics modeling. Papers involving amorphous Si, a dominant topic at the symposium, are collected in the first section followed by sections on four major areas of transformation kinetics. The symposium opened with joint sessions on ion and electron beam induced transformations in conjunction with the Surface Chemistry and Beam-Solid Interactions: symposium. Subsequent sessions focused on the areas of ordering and nonlinear diffusion kinetics, solid state reactions and amorphization, kinetics and defects of amorphous silicon, and kinetics of melting and solidification. Seven internationally recognized invited speakers reviewed many of the important problems and recent results in these areas, including defects in amorphous Si, crystal to glass transformations, ordering kinetics, solid-state amorphization, computer modeling, and liquid/solid transformations
M. Cargnin
2011-12-01
Full Text Available A produção de revestimentos cerâmicos pelo processo monoqueima é atualmente o mais difundido entre as empresas de cerâmica. O processo de queima está em constante evolução e adaptação à novos parâmetros, devido ao crescimento tecnológico e à diversificação dos produtos cerâmicos. É necessário entender o mecanismos envolvidos na queima de placas cerâmicas utilizando fornos a rolos, principalmente o desempenho térmico do equipamento e características técnicas dos revestimentos cerâmicos. Neste trabalho, um modelo matemático e um procedimento experimental foram aplicados para determinar a cinética de retração. Os parâmetros cinéticos foram determinados experimentalmente, utilizando pó industrial para obter corpos-de-prova de 80 x 20 x 2,3 mm³ queimados em forno elétrico laboratorial a rolo. A energia de ativação, Ea =178041 J/mol, o expoente do tempo "n" que determina o mecanismo de sinterização, n = 0,26285 e fator de freqüência, k0 = 44768 s-1 foram determinados depois de distintas condições de queima em 30, 40 e 50 min de frio a frio e as temperaturas entre 1000 a 1150 °C (com passos de 30 °C.The firing process is the core of the tiles production, currently the single-cycle firing is the most widespread method in ceramic industries. Moreover, the increasing demand of technological improvements and technical diversifications of ceramic products, leads the firing process to continuously adapt to new operative conditions. The physical mechanisms that occur in roller kilns have to be understood, mainly those involving thermal performance of the equipment and technical characteristics of the ceramic tiles. In this work, a mathematical model and an experimental procedure has been applied to determine the shrinkage kinetics. The kinetic parameters have been experimentally determined using industrial powder to obtain test pieces of 80 x 20 x 2.3 mm³ fired in laboratory electrical roller kiln. Activation energy
The reconstruction of neutron and gamma-ray doses at Hiroshima and Nagasaki begins with a determination of the parameters describing the explosion. The calculations of the air transported radiation fields and survivor doses from the Hiroshima and Nagasaki bombs require knowledge of a variety of parameters related to the explosions. These various parameters include the heading of the bomber when the bomb was released, the epicenters of the explosions, the bomb yields, and the tilt of the bombs at time of explosion. The epicenter of a bomb is the explosion point in air that is specified in terms of a burst height and a hypocenter (or the point on the ground directly below the epicenter of the explosion). The current reassessment refines the energy yield and burst height for the Hiroshima bomb, as well as the locations of the Hiroshima and Nagasaki hypocenters on the modern city maps used in the analysis of the activation data for neutrons and TLD data for gamma rays. (J.P.N.)
Irreversible processes kinetic theory
Brush, Stephen G
2013-01-01
Kinetic Theory, Volume 2: Irreversible Processes deals with the kinetic theory of gases and the irreversible processes they undergo. It includes the two papers by James Clerk Maxwell and Ludwig Boltzmann in which the basic equations for transport processes in gases are formulated, together with the first derivation of Boltzmann's ""H-theorem"" and a discussion of this theorem, along with the problem of irreversibility.Comprised of 10 chapters, this volume begins with an introduction to the fundamental nature of heat and of gases, along with Boltzmann's work on the kinetic theory of gases and s
Current generation by the Kinetic Alfven wave
The current generated and the efficiency of the shear Kinetic Alfven wave are obtained using a self-consistent quasilinear formulation. Also, the current generation by the monochromatic shear Kinetic Alfven wave introduced by Hasegawa is re-examined taking into account the nonresonant electrons. To obtain the RF current density at the level of the ohmic heating current density in a tokamak, the required external magnetic field is smaller than 0.1% of the DC magnetic field, and the parallel electric field (E2), using the Lausanne-TCA-Tokamak parameters is of the order of 0.01 V cm-1. (author)
Oxidation and hydrolysis kinetic studies on UN
Rao, G. A. Rama; Mukerjee, S. K.; Vaidya, V. N.; Venugopal, V.; Sood, D. D.
1991-11-01
The reaction of oxygen and water vapour with UN microspheres containing 0.78 and 10.9 mol% UO 2 as impurity was studied under non-isothermal heating conditions in a thermobalance under different partial pressures of oxygen, a fixed pressure of water vapour in argon, and in air. Uranium mononitride was ultimately converted to U 3O 8, with the formation of UO 2 and U 2N 3 as intermediates. The end product of pyrohydrolysis was UO 2. The kinetic parameters were evaluated and the mechanism of the reaction was suggested. Different kinetic models were used to explain the oxidation behaviour of UN.
Comparative study of gyrokinetic, hybrid-kinetic and fully kinetic wave physics for space plasmas
Told, Daniel; Muller, Florian; Astfalk, Patrick; Jenko, Frank
2016-01-01
A set of numerical solvers for the linear dispersion relations of the gyrokinetic, the hybrid-kinetic, and the fully kinetic model is employed to study the physics of the kinetic Alfv\\'en wave and the fast magnetosonic mode in these models. In particular, we focus on parameters that are relevant for solar wind oriented applications (using a homogeneous, isotropic background), which are characterized by wave propagation angles averaging close to 90{\\deg}. It is found that the gyrokinetic model, while lacking high-frequency solutions and cyclotron effects, faithfully reproduces the fully kinetic Alfv\\'en wave physics close to, and sometimes significantly beyond, the boundaries of its range of validity. The hybrid-kinetic model, on the other hand, is much more complete in terms of high-frequency waves, but owing to its simple electron model it is found to severely underpredict wave damping rates even on ion spatial scales across a large range of parameters, despite containing full kinetic ion physics.
Kinetic modeling in pre-clinical positron emission tomography
Kuntner, Claudia [AIT Austrian Institute of Technology GmbH, Seibersdorf (Austria). Biomedical Systems, Health and Environment Dept.
2014-07-01
Pre-clinical positron emission tomography (PET) has evolved in the last few years from pure visualization of radiotracer uptake and distribution towards quantification of the physiological parameters. For reliable and reproducible quantification the kinetic modeling methods used to obtain relevant parameters of radiotracer tissue interaction are important. Here we present different kinetic modeling techniques with a focus on compartmental models including plasma input models and reference tissue input models. The experimental challenges of deriving the plasma input function in rodents and the effect of anesthesia are discussed. Finally, in vivo application of kinetic modeling in various areas of pre-clinical research is presented and compared to human data.
F. C. PEIXOTO; J. L. de Medeiros
1999-01-01
Fragmentation kinetics is employed to model a continuous reactive mixture. An explicit solution is found and experimental data on the catalytic cracking of a mixture of alkanes are used for deactivation and kinetic parameter estimation.
Cluster kinetics model for mixtures of glassformers.
Brenskelle, Lisa A; McCoy, Benjamin J
2007-10-14
For glassformers we propose a binary mixture relation for parameters in a cluster kinetics model previously shown to represent pure compound data for viscosity and dielectric relaxation as functions of either temperature or pressure. The model parameters are based on activation energies and activation volumes for cluster association-dissociation processes. With the mixture parameters, we calculated dielectric relaxation times and compared the results to experimental values for binary mixtures. Mixtures of sorbitol and glycerol (seven compositions), sorbitol and xylitol (three compositions), and polychloroepihydrin and polyvinylmethylether (three compositions) were studied. PMID:17935407
Correlating thermodynamic and kinetic parameters with amorphous stability
Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel;
2009-01-01
stability of amorphous drugs for a larger sample set (12 drugs). The relaxation time, fragility index and configurational thermodynamic properties (enthalpy, entropy and Gibbs free energy) were calculated and correlated to the actual stability behaviour, obtained for 12 drugs. Below the glass transition...... temperature the relaxation time and fragility showed no correlation with the observed physical stability. All drugs were calculated to be 'fragile'. However, variation in the fragility index existed, with values spanning from 8.9 to 21.3, manifesting themselves as differences in the temperature dependencies...
Electrochemical kinetics theoretical aspects
Vetter, Klaus J
1967-01-01
Electrochemical Kinetics: Theoretical Aspects focuses on the processes, methodologies, reactions, and transformations in electrochemical kinetics. The book first offers information on electrochemical thermodynamics and the theory of overvoltage. Topics include equilibrium potentials, concepts and definitions, electrical double layer and electrocapillarity, and charge-transfer, diffusion, and reaction overvoltage. Crystallization overvoltage, total overvoltage, and resistance polarization are also discussed. The text then examines the methods of determining electrochemical reaction mechanisms
VEGF expression and FDG kinetics
Aim: The kinetics of dynamic PET FDG studies in musculoskeletal tumors was compared with the quantitative measurements of VEGF expression. Methods: Dynamic PET FDG studies were performed in 35 patients with sarcomas prior to surgery. The PET data were acquired for 60 minutes using a dedicated PET ring system. Following iterative image reconstruction, the data were quantified using a dedicated software program. Besides the calculation of SUV, a two compartment model was used to retrieve the parameters VB (vessel density) and the FDG transport constants K1-k4. Furthermore, a non-compartment model was applied to gain information about the tumor heterogeneity using the fractal dimension (FD). Following surgery, tissue samples were processed by quantitative RT-PCR using a lightcycler system for VEGF, the vascular endothelial growth factor, important for the tumor angiogenesis. Results: Scatter plots demonstrate, that the VEGF expression was generally associated with higher K1 values. The vessel density was independent from the VEGF expression. While the VEGF expression was variable at low SUV, the expression of VEGF was generally increased when the SUV exceeded 4.0. The simple linear correlation analysis of the parameters provided no significant correlations. A multi-factorial regression function was calculated, using SUV, K1-k4, VB and FD as predictor variables and the measured VEGF expression as the target variable. We noted a correlation of r=0.88 for these parameters, demonstrating that the dynamic of FDG accumulation is associated with angiogenetic activity. Conclusion: The results demonstrate, that tumor angiogenesis modulate the kinetics of FDG accumulation
KINETICS OF HYDROLYSIS OF TRIBUTYRIN BY LIPASE
SULAIMAN AL-ZUHAIR
2006-06-01
Full Text Available Kinetics of the enzymatic hydrolysis of tributyrin using lipase has been investigated. The initial rate of reaction was determined experimentally at different substrate concentration by measuring the rate of butyric acid produced. Michaels-Menten kinetic model has been proposed to predict the initial rate of hydrolysis of tributyrin in micro-emulsion system. The kinetic parameters were estimated by fitting the data to the model using three methods, namely, the Lineweaver-Burk, Edie-Hofstee and Hanes methods. The Michaels-Menten model with the constant predicted by Edie-Hofstee and Hanes methods predicted the initial rate of reaction at various substrate concentrations better than the model with the constant predicted Lineweaver-Burk method, especially at high substrate concentrations.
Kinetics of solid state phase transformations: Measurement and modelling of some basic issues
S Raju; E Mohandas
2010-01-01
A brief review of the issues involved in modelling of the solid state transformation kinetics is presented. The fact that apart from the standard thermodynamic parameters, certain path variables like heating or cooling rate can also exert a crucial influence on the kinetic outcome is stressed. The kinetic specialties that are intrinsic to phase changes proceeding under varying thermal history are enumerated. A simple and general modelling methodology for understanding the kinetics of non-isothermal transformations is outlined.
Kinetic Initial Conditions for Inflation
Handley, W J; Lasenby, A N; Hobson, M P
2014-01-01
We consider the classical evolution of the inflaton field $\\phi(t)$ and the Hubble parameter $H(t)$ in homogeneous and isotropic single-field inflation models. Under an extremely broad assumption, we show that the universe generically emerges from an initial singularity in a non-inflating state where the kinetic energy of the inflaton dominates its potential energy, $\\dot{\\phi}^2 \\gg V(\\phi)$. In this kinetically-dominated regime, the dynamical equations admit simple analytic solutions for $\\phi(t)$ and $H(t)$, which are independent of the form of $V(\\phi)$. In such models, these analytic solutions thus provide a simple way of setting the initial conditions from which to start the (usually numerical) integration of the coupled equations of motion for $\\phi(t)$ and $H(t)$. We illustrate this procedure by applying it to spatially-flat models with polynomial and exponential potentials, and determine the background evolution in each case; generically $H(t)$ and $|\\phi(t)|$ as well as their time derivatives decrea...
Conformational kinetics of aliphatic tails
Ferrarini, Alberta; Moro, Giorgio; Nordio, Pier Luigi
The master equation describing the random walk between sites identified with the stable conformers of a chain molecule, represents the extension to the time domain of the Rotational Isomeric State model. The asymptotic analysis of the multidimensional diffusion equation in the continuous torsional variables subjected to the configurational potential, provides a rigorous justification for the discrete models, and it supplies, without resorting to phenomenological parameters, molecular definitions of the kinetic rates for the conformational transitions occurring at each segment of the chain. The coupling between the torsional variables is fully taken into account, giving rise to cooperative effects. A complete calculation of the specific correlation functions which describe the time evolution of the angular functions probed by N.M.R. and dielectric relaxation measurements, has been performed for alkyl chains attached to a massive core. The resulting behaviour has been compared with the decay of trans and gauche populations of specific bonds, expressed in terms of suitable correlation functions whose time integrals lead quite naturally to the definition of effective kinetic constants for the conformational transitions.
Supramolecular polymer transformation: a kinetic study.
Baram, Jonathan; Weissman, Haim; Rybtchinski, Boris
2014-10-16
Investigation of supramolecular kinetics is essential for elucidating self-assembly mechanisms. Recently, we reported on a noncovalent system involving a bolaamphiphilic perylene diimide dimer that is kinetically trapped in water but can rearrange into a different, more ordered assembly in water/THF mixtures ( Angew. Chem. Int. Ed. 2014 , 53 , 4123 ). Here we present a kinetic mechanistic study of this process by employing UV-vis spectroscopy. The transformation exhibits a rapid decrease in the red-shifted absorption band, which is monitored in order to track the kinetics at different temperatures (15-50 °C) and concentrations. Fitting the data with the 1D KJMA (Kolmogorov-Johnson-Mehl-Avrami) model affords the activation parameters. The latter as well as seeding experiments indicates that the transformation occurs without the detachment of covalent units, and that hydration dynamics plays a significant role in nucleation, with entropic factors being dominant. Switching off the transformation, and the formation of off-pathway intermediates were observed upon heating to temperatures above 55 °C. These insights into kinetically controlled supramolecular polymer transformations provide mechanistic information that is needed for a fundamental understanding of noncovalent processes, and the rational design of noncovalent materials. PMID:25238603
Non-isothermal decomposition kinetics of magnesite Decomposição não isotérmica de magnesita
S Maitra; Mukherjee, S.; Saha, N; Pramanik, J.
2007-01-01
Kinetics of thermal decomposition of Indian magnesite was studied by thermo-gravimetric analysis under non-isothermal condition. Coats and Redfern Integral approximation method was used to determine the kinetic parameters. Using the kinetic parameters different kinetic functions were analyzed with the experimental data to ascertain the decomposition mechanism of magnesium carbonate and it was observed that the decomposition reaction followed a contracting sphere kinetic mechanism.A cinética d...
Kinetic model for erythrocyte aggregation.
Bertoluzzo, S M; Bollini, A; Rasia, M; Raynal, A
1999-01-01
It is well known that light transmission through blood is the most widely utilized method for the study of erythrocyte aggregation. The curves obtained had been considered empirically as exponential functions. In consequence, the process becomes characterized by an only parameter that varies with all the process factors without discrimination. In the present paper a mathematical model for RBC aggregation process is deduced in accordance with von Smoluchowski's theory about the kinetics of colloidal particles agglomeration. The equation fitted the experimental pattern of the RBC suspension optical transmittance closely and contained two parameters that estimate the most important characteristics of the aggregation process separately, i.e., (1) average size of rouleaux at equilibrium and (2) aggregation rate. The evaluation of the method was assessed by some factors affecting erythrocyte aggregation, such as temperature, plasma dilutions, Dextran 500, Dextran 70 and PVP 360, at different media concentrations, cellular membrane alteration by the alkylating agent TCEA, and decrease of medium osmolarity. Results were interpreted considering the process characteristics estimated by the parameters, and there were also compared with similar studies carried out by other authors with other methods. This analysis allowed us to conclude that the equation proposed is reliable and useful to study erythrocyte aggregation. PMID:10660481
Kinetic Study and Thermal Decomposition Behavior of Lignite Coal
Mehran Heydari
2015-01-01
Full Text Available A thermogravimetric analyzer was employed to investigate the thermal behavior and extract the kinetic parameters of Canadian lignite coal. The pyrolysis experiments were conducted in temperatures ranging from 298 K to 1173 K under inert atmosphere utilizing six different heating rates of 1, 6, 9, 12, 15, and 18 K min−1, respectively. There are different techniques for analyzing the kinetics of solid-state reactions that can generally be classified into two categories: model-fitting and model-free methods. Historically, model-fitting methods are broadly used in solid-state kinetics and show an excellent fit to the experimental data but produce uncertain kinetic parameters especially for nonisothermal conditions. In this work, different model-free techniques such as the Kissinger method and the isoconversional methods of Ozawa, Kissinger-Akahira-Sunose, and Friedman are employed and compared in order to analyze nonisothermal kinetic data and investigate thermal behavior of a lignite coal. Experimental results showed that the activation energy values obtained by the isoconversional methods were in good agreement, but Friedman method was considered to be the best among the model-free methods to evaluate kinetic parameters for solid-state reactions. These results can provide useful information to predict kinetic model of coal pyrolysis and optimization of the process conditions.
The physiological characteristics of man depend on the intake, metabolism and excretion of stable elements from food, water, and air. The physiological behavior of natural radionuclides and radionuclides from nuclear weapons testing and from the utilization of nuclear energy is believed to follow the pattern of stable elements. Hence information on the normal physiological processes occurring in the human body plays an important role in the assessment of the radiation dose received by man. Two important physiological parameters needed for internal dose determination are the pulmonary function and the water balance. In the Coordinated Research Programme on the characterization of Asian population, five participants submitted data on these physiological characteristics - China, India, Japan, Philippines and Viet Nam. During the CRP, data on other pertinent characteristics such as physical and dietary were simultaneously being collected. Hence, the information on the physiological characteristics alone, coming from the five participants were not complete and are probably not sufficient to establish standard values for the Reference Asian Man. Nonetheless, the data collected is a valuable contribution to this research programme
Rein, Guillermo; Lautenberger, Chris; Fernandez-Pello, Carlos; Torero, Jose; URBAN, David
2006-01-01
In this work, the kinetic parameters governing the thermal and oxidative degradation of flexible polyurethane foam are determined using thermogravimetric data and a genetic algorithm. These kinetic parameters are needed in the theoretical modeling of the foam’s smoldering behavior. Experimental thermogravimetric mass-loss data are used to explore the kinetics of polyurethane foam and to propose a mechanism consisting of five reactions. A lumped model of solid mass-loss based on...
O'Shaughnessy, Ben; Vavylonis, Dimitrios
1998-01-01
We study irreversible A-B reaction kinetics at a fixed interface separating two immiscible bulk phases, A and B. We consider general dynamical exponent $z$, where $x_t\\sim t^{1/z}$ is the rms diffusion distance after time $t$. At short times the number of reactions per unit area, $R_t$, is {\\em 2nd order} in the far-field reactant densities $n_A^{\\infty},n_B^{\\infty}$. For spatial dimensions $d$ above a critical value $d_c=z-1$, simple mean field (MF) kinetics pertain, $R_t\\sim Q_b t n_A^{\\in...
Bonitz, Michael
2016-01-01
This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.
Hot forming recrystallization kinetics in steel
Kliber, Jiří; Fabík, Richard; Vitez, Ivan; Drozd, Kamil
2009-01-01
The theory of kinetics of static recrystallization of steel during hot forming links the phenomenon to certain critical strain, grain size, strain rate, activation energy and temperature. The basic description is provided by the Avrami equation. An overview of equations used was compiled and comments on selected parameters prepared. Teorija kinetike statičke rekristalizacije čelika tijekom vrućeg oblikovanja ovu pojavu povezuje s kritičnom deformacijom, veličinom zrna, brzinom deform...
Kinetic Theory of the Overlapping Phase Transformations
Valencia-Morales, E.; Galeano-Alvarez, N. J.; Vega-Leyva, J.; Villar, C. E.; Hernandez-Ruiz, J.
2003-01-01
Often a number of precipitation processes in steels and alloys occur simultaneously (they have the same origin in time) albeit at different rates. Consequently, isothermic transformations are accompanied, in this case, by the occurrence of second processes of precipitation that influence the changes of the macroscopic parameter chosen for the kinetic study while first processes are occurring. In this context a set-up is presented that addresses the issue of characterization of nucleation and ...
Drying kinetics of some building materials
Moropoulou, A.; M Karoglou; Giakoumaki, A.; Krokida, M. K.; Maroulis, Z. B.; G.D. Saravacos
2005-01-01
Moisture is one of the most deteriorating factors of buildings. The deteriorating effect of moisture occurs mainly during the drying phase, and not in the wetting phase. Appropriate parameters of the drying kinetics are required for the building materials. Environmental factors, such as air temperature, air humidity, and air velocity affect drying. An experimental air dryer of controlled drying air conditions was used to investigate the drying performance of 4 stone materials, 2 bricks and 7 ...
Intermediate inflation with modified kinetic term
Mohammadi, A.; Ossoulian, Z.; Golanbari, T.; Saaidi, K.
2015-09-01
Intermediate inflation is considered in a non-canonical scalar field model, in which the kinetic term of scalar field is taken as a power-law function. The free parameters of the model are constrained by using the most recent observational data related to scalar spectra index, tensor-to-scalar ratio, and scalar perturbation amplitude. The results are used to depict the potential behavior of the model and estimate the initial and final time of inflation.
A kinetic model of zircon thermoluminescence
Turkin, A.A.; Es, H.J. van; Vainshtein, D.I.; Hartog, H.W. den
2002-01-01
A kinetic model of zircon thermoluminescence (TL) has been constructed to simulate the processes and stages relevant to thermoluminescent dating such as: filling of electron and hole traps during the excitation stage both for natural and laboratory irradiation; the time dependence of fading after laboratory irradiation; TL experiments both after laboratory and natural irradiation. The goal is to inspect qualitative behavior of the system and to unravel the processes and determine the paramete...
Edenio Detmann
2009-01-01
Full Text Available Objetivou-se neste experimento avaliar a cinética de degradação ruminal dos capins setária (Setaria anceps Stapf, hemarthria (Hemarthria altissima [Poir] Stapf. & Hubbard, angola (Brachiaria purpurascens [Raddi] Henr. e acroceres (Acroceras macrum Stapf. adubados com 0, 100, 200, 300 ou 400 kg de N/ha e colhidos aos 28, 42, 56 ou 70 dias de idade. Os resultados foram avaliados por intermédio de análise de fatores. Após redução e avaliação da variação conjunta total das variáveis, optou-se pela adoção de três fatores, que englobaram 86,4% da variação total: o primeiro fator (Fator 1 associou-se ao volume de gás oriundo das frações de lenta e de rápida degradação e à taxa de degradação da fração rapidamente degradável (Vf1, Vf2 e k2; o segundo fator (Fator 2 associou-se à taxa de degradação de lenta digestão e à latência (k1 e L; e o terceiro fator (Fator 3, por sua vez, associou-se à digestibilidade in vitro da matéria seca (DIVMS. Os parâmetros da cinética de degradação foram influenciados pelas idades de corte. A digestibilidade in vitro da matéria seca reduziu com o avançar da idade das plantas. A adubação nitrogenada não promoveu respostas evidentes nos parâmetros avaliados. O capim-hemarthria se destacou dos demais em virtude de maior digestibilidade.The objective of this experiment was to evaluate the effects of levels 0, 100, 200, 300 and 400 kg of nitrogen/ha and cutting ages of 28, 42, 56 and 70 days on the kinetic parameters of ruminal degradation of carbohydrate of the following tropical forages: Setaria grass (Setaria anceps Stapf, Limpo grass (Hemarthria altissima [Poir] Stapf. & Hubbard, California grass (Brachiaria purpurascens [Raddi] Henr. and Nilo grass (Acroceras macrum Stpaf. The results were submitted to a factor analysis. After reduction and evaluation of the combined variation from the total variables, three factors comprising 86.44% of the total variation were considered
Modeling chemical kinetics graphically
A. Heck
2012-01-01
In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could h
Relativistic kinetic momentum operators
In the framework of the quantum theory in the relativistic configuration r-space the kinetic momenta, corresponding to the half of the non-Euclidean distance in the Lobachevsky velocities space, are introduced. These operators, coinciding up to the constant factor with the generators of translations of the r-space, are the exterior derivatives of the noncommutative differential calculus
Kinetic equation of sociodynamics
Володимир Олександрович Касьянов
2014-01-01
This article aims to build a theory of social dynamics, similar to the kinetic theory of gases. In general, given model is hybrid because off static mechanics ideas. In particular, Boltsman equation, Jaynes’s principle of entropy optimality have been applied to preference distribution of first and second type.
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
Kinetic equation of sociodynamics
Володимир Олександрович Касьянов
2014-08-01
Full Text Available This article aims to build a theory of social dynamics, similar to the kinetic theory of gases. In general, given model is hybrid because off static mechanics ideas. In particular, Boltsman equation, Jaynes’s principle of entropy optimality have been applied to preference distribution of first and second type.
Empiricism or self-consistent theory in chemical kinetics?
To give theoretical background for mechanochemical kinetics, we need first of all to find a possibility to predict the kinetic parameters for real chemical processes by determining rate constants and reaction orders without developing strictly specialized and, to a great extent, artificial models, i.e. to derive the kinetic law of mass action from 'first principles'. However, the kinetic law of mass action has had only an empirical basis from the first experiments of Gulberg and Waage until now, in contrast to the classical law of mass action for chemical equilibrium rigorously derived in chemical thermodynamics from equilibrium condition. Nevertheless, in this paper, an attempt to derive the kinetic law of mass action from 'first principles' is made in macroscopic formulation. It has turned out to be possible owing to the methods of thermodynamics of irreversible processes that were unknown in Gulberg and Waage's time
Thermal Decomposition Kinetics of Ni(Ⅱ) Complex with Norfloxacin
无
1999-01-01
The thermal decomposition of the [Ni(NFA)2(NO3)2]*2H2O (NFA=C16H18FN3O3, norfloxacin) and its kinetics were studied under the non-isothermal condition in nitrogen by TG-DTG and DTA methods. The intermediate and residue for each decomposition were identified from TG curve. The Achar method and the Madhusudanan-Krishnan-Ninan (MKN) method were used to analyze the non-isothermal kinetic data. The possible reaction mechanisms were investigated by comparing the kinetic parameters. The kinetic equation for the third stage and the mathematical expressions for the kinetic compensation effects of the third stage were obtained.
Conservative RIA analysis with use of spatial kinetic model
Description of methodology of conservative RIA analysis with use of spatial kinetic reactor core model is presented. It is shown that their application yields more conservative assessment of reactor core parameters for which acceptance criteria for rod ejection RIA are established, in comparison with point-one-dimensional kinetic model. Application of methodology based on using of point-one-dimensional kinetic model and power peaking factor obtained from stationery calculations of states that can be realized during RIA is also allowable if choice of given state is substantiated. But, as it is shown the choice of reactor core state for power peaking factor definition is not trivial and it can be calculated on the base of rod ejection RIA analysis with use of 3-D spatial kinetic reactor core model. Performed studies come to conclusion about necessity to indicate using of spatial kinetic software for RIA analysis in normative documents. (authors)
Kinetic Alfven solitons in a low-beta plasma
Kinetic Alfven solitons with hot electrons and finite electron inertia in a low beta (β=8πnoT/B2G, the ratio of the kinetic to the magnetic pressure) plasma is studied analytically, with the ion motion being considered dominant through the polarization drift. Both compressive and rarefactive kinetic Alfven solitons are found to exist within a definite range of kz (the direction of propagation of the kinetic Alfven solitary waves with respect to the direction of the magnetic field) for each pair of assigned values of β and M (Mach number). Unlike in previous theoretical investigations, β appears as an explicit parameter for the kinetic Alfven solitons in this case. In addition, consideration of the electron pressure gradient is found to suppress the speed of both the Alfven solitons considerably for A (=2QM2 / βk2z, with Q the electron-to-ion mass ratio) less than unity. (Author)
Fisher information, kinetic energy and uncertainty relation inequalities
By interpolating between Fisher information and mechanical kinetic energy, we introduce a general notion of kinetic energy with respect to a parameter of Schroedinger wavefunctions from a statistical inference perspective. Kinetic energy is the sum of Fisher information and an integral of a parametrized analogue of quantum mechanical current density related to phase. A family of integral inequalities concerning kinetic energy and moments are established, among which the Cramer-Rao inequality and the Weyl-Heisenberg inequality, are special cases. In particular, the integral inequalities involving the negative order moments are relevant to the study of electron systems. Moreover, by specifying the parameter to a scale, we obtain a family of inequalities of uncertainty relation type which incorporate the position and momentum observables symmetrically in a single quantity. (author)
Parameter identification of thermophilic anaerobic degradation of valerate
Flotats, X; Ahring, Birgitte Kiær; Angelidaki, Irini
Mathematical model of the decomposition of valerate presents 3 unknown kinetic parameters, 2 unknown stoichiometric coefficients and 3 unknown initial concentrations for biomass. Applying a structural identifiability study, it is concluded that it is necessary to perform simultaneous batch experi...
Parameter identification of thermophilic anaerobic degradation of valerate
Flotats, X.; Ahring, Birgitte Kiær; Angelidaki, Irini
The considered mathematical model of the decomposition of valerate presents three unknown kinetic parameters, two unknown stoichiometric coefficients, and three unknown initial concentrations for biomass. Applying a structural identifiability study, we concluded that it is necessary to perform si...
Parameter identification of thermophilic anaerobic degradation of valerate
Flotats, X; Ahring, Birgitte Kiær; Angelidaki, Irini
2002-01-01
Mathematical model of the decomposition of valerate presents 3 unknown kinetic parameters, 2 unknown stoichiometric coefficients and 3 unknown initial concentrations for biomass. Applying a structural identifiability study, it is concluded that it is necessary to perform simultaneous batch experi...
On the validity of the general order kinetics for analyzing phosphorescence curves
The parameters characterizing trap and recombination centers, such as activation energies, recombination and trap probabilities, involved in thermoluminescent materials can be found by analyzing phosphorescence curves with an adopted model consisting of trap and recombination centers, and assuming the mechanisms involved in the carrier traffic (kinetics). Nowadays the most employed kinetics is the General Order kinetics (GO). Since this model is heuristic, this article reports how successful it is in providing reliable values for the traps parameters. The equations describing the traffic of carriers were used to generate simulated phosphorescence curves for specific values of trap and recombination parameters. These simulated phosphorescence curves were later analyzed with the GO kinetics, and the resulting parameters compared to the correct ones in order to evaluate the validity of the model. -- Highlights: • The general order kinetics does not yield reliable parameters when the quasi-equilibrium approximation does not hold. • The general order kinetics yields more reliable parameters if it is employed for analyzing glow curves. • The general order kinetics yields reliable parameters if the kinetics is of first order
Biosorption Parameter Estimation with Genetic Algorithm
Yung-Tse Hung; Eui Yong Kim; Xiao Feng; Khim Hoong Chu
2011-01-01
In biosorption research, a fairly broad range of mathematical models are used to correlate discrete data points obtained from batch equilibrium, batch kinetic or fixed bed breakthrough experiments. Most of these models are inherently nonlinear in their parameters. Some of the models have enjoyed widespread use, largely because they can be linearized to allow the estimation of parameters by least-squares linear regression. Selecting a model for data correlation appears to be dictated by the ea...
Kinetics and mechanism of synthetic CoS oxidation process
Štrbac N.
2006-01-01
Full Text Available The results of investigation of kinetics and mechanism for synthetic a-CoS oxidation process are presented in this paper. Based on experimental data obtained using DTA and XRD analysis and constructed PSD diagrams for Co-S-O system, mechanism of synthetic a-CoS oxidation process is suggested. Characteristic kinetic parameters were obtained for experimental isothermal investigations of desulfurization degree using Sharp method.
Unravelling the Maillard reaction network by multiresponse kinetic modelling
Martins, S.I.F.S.
2003-01-01
The Maillard reaction is an important reaction in food industry. It is responsible for the formation of colour and aroma, as well as toxic compounds as the recent discovered acrylamide. The knowledge of kinetic parameters, such as rate constants and activation energy, is necessary to predict its extent and, consequently, to optimise it. Each of the chapters presented in this thesis can be seen as a necessary step to succeed in applying multiresponse kinetic modelling in a complex reaction, su...
Kinetic analysis of crystal violet adsorption on to bottom ash
NIDHEESH, Puthiya Veetil; Gandhimathi, Rajan
2012-01-01
The adsorption behavior of crystal violet (CV) from aqueous solution onto bottom ash was investigated under various experimental conditions. The parameters studied included contact time, initial CV concentration, particle size, and ionic strength. The kinetic experimental data were analyzed by different models. The experimental adsorption data showed good correlation with the kinetic models and suggested a multimechanism sorption process. The adsorption mechanisms follow pseudo-sec...
A Kinetic Model for the Energy Transfer in Phycobilisomes
Suter, Georg W.; Holzwarth, Alfred R.
1987-01-01
A kinetic model for the energy transfer in phycobilisome (PBS) rods of Synechococcus 6301 is presented, based on a set of experimental parameters from picosecond studies. It is shown that the enormous complexity of the kinetic system formed by 400-500 chromophores can be greatly simplified by using symmetry arguments. According to the model the transfer along the phycocyanin rods has to be taken into account in both directions, i.e., back and forth along the rods. The corresponding forward ra...
HCCI in a CFR engine: experiments and detailed kinetic modeling
Flowers, D; Aceves, S; Smith, R; Torres, J; Girard, J; Dibble, R
1999-11-05
Single cylinder engine experiments and chemical kinetic modeling have been performed to study the effect of variations in fuel, equivalence ratio, and intake charge temperature on the start of combustion and the heat release rate. Neat propane and a fuel blend of 15% dimethyl-ether in methane have been studied. The results demonstrate the role of these parameters on the start of combustion, efficiency, imep, and emissions. Single zone kinetic modeling results show the trends consistent with the experimental results.
Kinetics and mechanism of synthetic CoS oxidation process
Štrbac N.; Mihajlović I.; Živković D.; Boyanov B.; Živković Ž.; Cocić M.
2006-01-01
The results of investigation of kinetics and mechanism for synthetic a-CoS oxidation process are presented in this paper. Based on experimental data obtained using DTA and XRD analysis and constructed PSD diagrams for Co-S-O system, mechanism of synthetic a-CoS oxidation process is suggested. Characteristic kinetic parameters were obtained for experimental isothermal investigations of desulfurization degree using Sharp method.
IMPORTANCE OF KINETIC MEASURES IN TRAJECTORY PREDICTION WITH OPTIMAL CONTROL
Ömer GÜNDOĞDU
2001-02-01
Full Text Available A two-dimensional sagittally symmetric human-body model was established to simulate an optimal trajectory for manual material handling tasks. Nonlinear control techniques and genetic algorithms were utilized in the optimizations to explore optimal lifting patterns. The simulation results were then compared with the experimental data. Since the kinetic measures such as joint reactions and moments are vital parameters in injury determination, the importance of comparing kinetic measures rather than kinematical ones was emphasized.
Adsorption kinetics of propane on energetically heterogeneous activated carbon
Ismail, Azhar Bin
2014-11-01
The modeling of the adsorption isotherms and kinetics of the adsorbent+adsorbate pair is essential in simulating the performance of a pressurized adsorption chiller. In this work, the adsorption kinetics is analyzed from data measured using a magnetic suspension balance. The Statistical Rate Theory describes the Dubinin-Astakhov (DA) equation and extended to obtain an expression for transient analysis. Hence both the experimental excess equilibria data and the adsorption kinetics data may then be fitted to obtain the necessary parameters to fit the curves. The results fit the data very well within 6% of the error of regression. © 2014 Elsevier Ltd.
Fractal kinetic model for heap leaching of uranium ore
By using fractal dimensions of the full particle size distribution instead of average particle size, the analytical models describing heap leaching of uranium ore which were presented by Mellado et al, were improved. Meanwhile, the relationships between the model parameters of the fractal kinetic model for heap leaching of uranium ore and the fractal dimension of uranium ore were determined by column leaching experiments, and then a fractal kinetic model for heap leaching of uranium ore was established, and was further verified by column leaching experiments. The result shows that the fractal kinetic model can well reflect the law of uranium metal leaching of heap leaching of uranium ore. (authors)
Evaluation of reliability of Coats-Redfern method for kinetic analysis of non-isothermal TGA
R. Ebrahimi-Kahrizsangi; M. H. Abbasi
2008-01-01
A critical examination was made on the reliability of kinetic parameters of nonisothermal thermoanalytical rate measurement by the widely applied Coats-Redfern(CR) equation. For this purpose, simulated TGA curves were made for reactions with different kinetic models, including chemical, diffusion (Janders) and mixed mechanism at different heating rates. The results show that, for reactions controlled kinetically by one mechanism, all solid state reaction models show linear trends by use of CR method and this method can not distinct the correct reaction model. For reactions with mixed mechanism, the CR method shows nonlinear trends and the reaction models and kinetic parameters can not be extracted from CR curves. The overall conclusion from this comparative appraisal of the characteristics of the CR approach to kinetic analysis of TGA data is that the CR approach is generally unsuitable for determination of kinetic parameters.
LLNL Chemical Kinetics Modeling Group
Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J
2008-09-24
The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.
Kinetic equilibrium and relativistic thermodynamics
Ván P.
2011-01-01
Relativistic thermodynamics is treated from the point of view of kinetic theory. It is shown that the generalized J\\"uttner distribution suggested in [1] is compatible with kinetic equilibrium. The requirement of compatibility of kinetic and thermodynamic equilibrium reveals several generalizations of the Gibbs relation where the velocity field is an independent thermodynamic variable.
张灵; 杨晓兰; 白婧; 廖娟; 刘红博; 廖飞
2011-01-01
Objective:To establish a method based on analysis of the changes of kinetic parameters to characterize an inhibitor of glutathione-S-transferase (glutathione-S-transferases,GST). Methods:The acidic GST isozyme was purified from the porcine liver via anion-exchange chromatography and affinity chromatography. The reaction of glutathione (glutathione, GSH) and 1 -chloro-2,4-dini-trobenzene( 1, - chloro- 2,4- dinitrobenzene,CDNB) gave S-(2,4 -dinitrobenzyl) -glutathione (GS-DNB) as a candidate inhibitor. Michaelis-Menten constant(Km) and maximal reaction rate(Vm) were estimated to determine the inhibition constant (Ki) of GS-DNB. Results: Specific activity of GST was increased by more than 146 times with overall activity yield of about 30%. GST followed random bi-substrate kinetics and had Km of 42 |xmol/L for GSH,and Km of 0.86 mmol/L for CDNB. The competitive Ki of GS-DNB was (21 ± 1)μmol/L (n=2) against CDNB,and (17 ± 1) μmol/L (ra=2) against GSH. Conclusion:GS-DNB is an effective competitive inhibitor of GST;the estimation of Ki from responses of Km and Vm to inhibitor concentrations can be a conventional method to screen GST inhibitors.%目的:测定谷胱甘肽-S-转移酶(Glutathione-S-transferases,GST)动力学参数变化,建立表征其抑制剂的方法.方法:从猪肝经阴离子交换层析和亲和层析制备GST酸性同工酶,用还原型谷胱甘肽(Glutathione,GSH)和1-氯-2,4-二硝基苯(1,-chloro-2,4-dinitrobenzene,CDNB)合成S-(2,4-二硝基苯基)-谷胱甘肽(GS-DNB)为候选抑制剂,以GSH与CDNB为底物测定GST在GS-DNB作用下的米氏常数(Km)和最大反应速度(Vm),从而确定GS-DNB对GST的抑制常数(Ki).结果:此GST被纯化146倍以上,活性总收率近30％.该GST对GSH和CDNB的Km分别为42 μmol/L和0.86 mmol/L,属于随机双底物动力学模型.GS-DNB对CDNB竞争性Ki为(21±1)μmol/L (n=2)；对GSH竞争性Ki为(17±1)μmol/L (n=2).结论:产物GS-DNB是GST的高亲和力竞争性抑制剂；测定GST动力学
A Review of Kinetic Modeling Methodologies for Complex Processes
de Oliveira Luís P.
2016-05-01
Full Text Available In this paper, kinetic modeling techniques for complex chemical processes are reviewed. After a brief historical overview of chemical kinetics, an overview is given of the theoretical background of kinetic modeling of elementary steps and of multistep reactions. Classic lumping techniques are introduced and analyzed. Two examples of lumped kinetic models (atmospheric gasoil hydrotreating and residue hydroprocessing developed at IFP Energies nouvelles (IFPEN are presented. The largest part of this review describes advanced kinetic modeling strategies, in which the molecular detail is retained, i.e. the reactions are represented between molecules or even subdivided into elementary steps. To be able to retain this molecular level throughout the kinetic model and the reactor simulations, several hurdles have to be cleared first: (i the feedstock needs to be described in terms of molecules, (ii large reaction networks need to be automatically generated, and (iii a large number of rate equations with their rate parameters need to be derived. For these three obstacles, molecular reconstruction techniques, deterministic or stochastic network generation programs, and single-event micro-kinetics and/or linear free energy relationships have been applied at IFPEN, as illustrated by several examples of kinetic models for industrial refining processes.
Kinetics model for lutate dosimetry
Lima, M.F.; Mesquita, C.H., E-mail: mflima@ipen.br, E-mail: chmesqui@ipen.br [Instituto de Pesquisas Energeticas (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)
2013-11-01
The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp Registered-Sign . The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)
Kinetics model for lutate dosimetry
The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp®. The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)
We study a recently proposed running kinetic inflation model in which the inflaton potential becomes flat due to rapid growth of the kinetic term at large inflaton field values. As concrete examples, we build a variety of chaotic inflation models in supergravity with e.g. quadratic, linear, and fractional-power potentials. The power of the potential generically increases after inflation, and the inflaton is often massless at the potential minimum in the supersymmetric limit, which leads to many interesting phenomena. First, the light inflaton mass greatly relaxes severe thermal and non-thermal gravitino problems. Secondly, the kination epoch is naturally present after inflation, which may enhance the gravity waves. Thirdly, since the inflaton is light, it is likely coupled to the Higgs sector for successful reheating. The inflaton and its superpartner, inflatino, may be produced at the LHC. Interestingly, the inflatino can be dark matter, if it is the lightest supersymmetric particle
V.G. Morozov
2009-01-01
Full Text Available We present a kinetic theory of radiative processes in many-component plasmas with relativistic electrons and nonrelativistic heavy particles. Using the non-equilibrium Green's function technique in many-particle QED, we show that the transverse field correlation functions can be naturally decomposed into sharply peaked (non-Lorentzian parts that describe resonant (propagating photons and off-shell parts corresponding to virtual photons in the medium. Analogous decompositions are obtained for the longitudinal field correlation functions and the correlation functions of relativistic electrons. We derive a kinetic equation for the resonant photons with a finite spectral width and show that the off-shell parts of the particle and field correlation functions are essential to calculate the local radiating power in plasmas and recover the results of vacuum QED. The plasma effects on radiative processes are discussed.
Kinetic Inductance Magnetometer
Luomahaara, Juho; Grönberg, Leif; Hassel, Juha
2014-01-01
Ultrasensitive magnetic field detection is utilized in the fields of science, medicine and industry. We report on a novel magnetometer relying on the kinetic inductance of superconducting material. The kinetic inductance exhibits a non-linear response with respect to DC current, a fact that is exploited by applying magnetic flux through a superconducting loop to generate a shielding current and a change in the inductance of the loop. The magnetometer is arranged into a resonator, allowing readout through a transmission measurement that makes the device compatible with radio frequency multiplexing techniques. The device is fabricated using a single thin-film layer of NbN, simplifying the fabrication process compared to existing magnetometer technologies considerably. Our experimental data, supported by theory, demonstrates a magnetometer having potential to replace established technology in applications requiring ultra-high sensitivity.
Faleiros A.C.; Rabelo T.N.; Thim G.P.; Oliveira M.A.S.
2000-01-01
The kinetic model for change of phases developed by M. Avrami at the end of the thirties has been used to describe the temporal behavior of phase changes. Until today this model is studied and adapted to include broader hypotheses. However, the mathematical format presented by M. Avrami is difficult to be understood by beginners. The purpose of this work is to clarify the mathematical treatment of Avrami's work, going straightforward to the arguments that led to his main results.
A.C. Faleiros
2000-07-01
Full Text Available The kinetic model for change of phases developed by M. Avrami at the end of the thirties has been used to describe the temporal behavior of phase changes. Until today this model is studied and adapted to include broader hypotheses. However, the mathematical format presented by M. Avrami is difficult to be understood by beginners. The purpose of this work is to clarify the mathematical treatment of Avrami's work, going straightforward to the arguments that led to his main results.
Sediment Oxygen Demand Kinetics
Olinde, Lindsay
2007-01-01
Hypolimnetic oxygen diffusers increase sediment oxygen demand (SOD) and, if not accounted for in design, can further exacerbate anoxic conditions. A study using extracted sediment cores, that included both field and laboratory experiments, was performed to investigate SOD kinetics in Carvinâ s Cove Reservoir, a eutrophic water supply reservoir for Roanoke, Virginia. A bubble-plume diffuser is used in Carvinâ s Cove to replenish oxygen consumed while the reservoir is thermally stratified. ...
Thermal Decomposition Kinetics of Lead 2,4,6-Trinitroresorcinate Monohydrate
HU Rong-zu; YAO Pu; LI Jing; CHEN San-ping; GAO Sheng-li; ZHAO Feng-qi; SONG Ji-rong; SHI Qi-zhen; CHEN Pei; LUO Yang; ZHAO Hong-an
2004-01-01
The non-isothermal decomposition of lead 2,4,6-trinitroresorcinate monohydrate, Pb (TNR) · H2O. was investigated by means of TG-DTA, DSC and IR. The thermal decomposition mechanism and the dissociated kinetics were also investigated. The kinetic parameters were obtained from the analysis of the DSC curves by integral and differential methods. The most probable kinetic model function of the dehydration reaction of Pb(TNR) · H2O was suggested by the comparison of the kinetic parameters.
Drying kinetics of some building materials
A. Moropoulou
2005-06-01
Full Text Available Moisture is one of the most deteriorating factors of buildings. The deteriorating effect of moisture occurs mainly during the drying phase, and not in the wetting phase. Appropriate parameters of the drying kinetics are required for the building materials. Environmental factors, such as air temperature, air humidity, and air velocity affect drying. An experimental air dryer of controlled drying air conditions was used to investigate the drying performance of 4 stone materials, 2 bricks and 7 plasters. Drying kinetics was examined at 4 air temperatures, 6 air humidities, and 3 air velocities. A first-order kinetics model was obtained, in which the drying time constant was a function of the drying conditions, and the equilibrium material moisture content was described by the Oswin equation. The parameters of the proposed model were found to be affected strongly by the material and the drying air conditions. The results obtained are very useful in selecting the appropriate plaster to protect existing historic buildings.
杨永茂; 王平; 张艳; 孟宪丽; 陈瑛; 邱一行
2012-01-01
Objective To study the effects of severe acute pancreatitis (SAP) on absorption kinetic parameters of rhubarb free anthraquinones. Methods Eleven healthy Beagle dogs were randomly divided into the normal group (n =6) and the SAP group (n=5). The SAP animal model was prepared by surgery through portal vein blood channel building to collect blood from normal dogs and dogs with SAP. The free anthraquinones (20 mg/kg) was given by gastrogavage. The concentrations of five anthraquinones (aloe emodin, rhein, emod-in, chrysophanol, and physcion) in the blood plasma of the portal vein and the femoral artery were determined u-sing high performance liquid chromatography (HPLC). The kinetic parameters were calculated using MAT-LAB2007B Software. The half life (t1/2Ka), the absorption peak time (Tmax), the peak concentration (Cmax), the area under the curve [ AUC(0-∞)], and the mean residence time (MRT) were calculated using the statistical moment method. The transport velocity of corresponding medicines from the gastrointestinal tract to the blood (ka) was calculated. Results There was no difference in the chemical composition absorption type of the portal vein and the femory artery beween the two groups. Aloe emodin could be detected in the portal vein of each animal at each time point, and they were in the quantitative range. Rhein could be detected in the portal vein of each animal at each time point, and they were lower than the quantitative limit at few time points. Emodin and chrysophanol could be detected in the portal vein of partial animals at each time point, and most of them were higher than the quantitative limit. Physcion could be detected only in the portal vein of less animals at few time points. Rhein could be detected in the femoral artery at most time points, but the rhein plasma concentration at most time points were lower than the quantitative limit. Lower concentration of aloe emodin, emodin, and chrysophanol could be detected in the femoral artery at
Thermodynamically consistent model calibration in chemical kinetics
Goutsias John
2011-05-01
Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new
Non-isothermal Kinetics of the Dehydration Process of Na2MoO4·2H20
张建军; 张秀芳; 武克忠; 任宁; 周雪; 刘晓地
2004-01-01
The dehydration process of Na2MoO4·2H2O and its kinetics have been studied by TG-DTG. Using Malek method, SB(m,n) was defined as the kinetic model of the dehydration process. The corresponding kinetic and thermodynamic parameters were obtained.
Fernanda Maria Pagane Guereschi Ernandes
2009-01-01
Full Text Available A levana é um exopolissacarídeo sintetizado por vários microrganismos durante a fermentação de um meio de cultura à base de sacarose, extrato de levedura e sais minerais. Este biopolímero pode ser usado tanto na área de alimentos, como estabilizante, espessantee fixador de cor e sabor, quanto na farmacêutica, como hipocolesterolêmico e anticarcinogênico. O artigo teve como objetivo analisar a influência da temperatura e do pH, em relação a diferentes tempos de fermentação, no desenvolvimento celular e na produção de levana, por fermentação submersa. O microrganismo utilizado foi Zymomonas mobilis CCT 4494, incubado num meio de cultura quimicamente definido, acrescido de 200,0 g L-1 de sacarose. Amostras do caldo de fermentação foram recolhidas a cada 24h, durante o período de 96h, para posteriormente serem submetidas aos métodos analíticos:pH, biomassa, teores de açúcares redutores e de açúcares redutores totais e da formação de levana. Observou-se que os rendimentos obtidos de biomassa e do biopolímero sintetizado, em 24h, foram superiores àqueles obtidos em 48, 72 e 96h de fermentação.Levan is an exopolysaccharide synthesized by several microorganisms during fermentation of a culture medium containing sucrose, yeastextract and minerals. This biopolymer has applications in the food segment as stabilizers, thickeners, as carriers for flavor and fragrances, as well as in the pharmaceutical segment as ahypocholesterolemic agent and for exhibiting antitumor activity. This work aimed to analyze the kinetic parameters for levan production. The microorganism used was Zymomonas mobilis CCT 4494, incubated in a synthetic medium containing 200.0 g L-1 of sucrose, in a rotary shaker at 200 rpm and 30°C. Samples were taken every 24h, during aperiod of 96h, in order to determine variations of pH, biomass, reducing sugar, total reducing sugar and levan formation. It was observed that yields of biomass and synthesized
Diffusion kinetics of metal recovery biosorption processes
The uptake of heavy metals and radionuclides by alginate beads was studied to determine kinetic and mass transport parameters of this biosorption process. The kinetics of cadmium and uranyl ion uptake by calcium alginate were assessed using a mathematical expression derived for evaluation of hyperbolic type biosorption isotherms. Removal efficiencies were evaluated under varying solution conditions of initial solute concentration, pH, temperature and the presence of selected cations. The maximum rate of sorption was found to be 241.7 and 978.8 mg/L/min for uranium and cadmium, respectively. Based upon Fick's Second Law, a quantitative description of the mass transfer mechanism for these biosorption processes was developed, and diffusion coefficients determined for the sorption of UO2+2 and Cd2+ by calcium alginate gel beads
Reaction kinetics of bond rotations in graphene
Skowron, Stephen T.
2016-04-12
The formation and healing processes of the fundamental topological defect in graphitic materials, the Stone-Wales (SW) defect, are brought into a chemical context by considering the rotation of a carbon-carbon bond as chemical reaction. We investigate the rates and mechanisms of these SW transformations in graphene at the atomic scale using transmission electron microscopy. We develop a statistical atomic kinetics formalism, using direct observations obtained under different conditions to determine key kinetic parameters of the reactions. Based on the obtained statistics we quantify thermally and irradiation induced routes, identifying a thermal process of healing with an activation energy consistent with predicted adatom catalysed mechanisms. We discover exceptionally high rates for irradiation induced SW healing, incompatible with the previously assumed mechanism of direct knock-on damage and indicating the presence of an efficient nonadiabatic coupling healing mechanism involving beam induced electronic excitations of the SW defect.
Thermodynamics, kinetics and process control of nitriding
Mittemeijer, Eric J.; Somers, Marcel A. J.
1997-01-01
As a prerequisite for the predictability of properties obtained by a nitriding treatment of iron based workpieces, the relation between the process parameters and the composition and structure of the surface layer produced must be known. At present, even the description of thermodynamic equilibrium...... 10th Congress of the International Federation for Heat Treatment and Surface Engineering held in Brighton, UK on 1-5 September 1996. (C) 1997 The Institute of Materials....... for, the nitriding result is determined largely by kinetics. Nitriding kinetics are shown to be characterised by local near equilibria and stationary states at surfaces and interfaces, and the diffusion coefficient of nitrogen in the various phases, for which new data are presented. The necessary...
FY2014 Parameters for Helions and Gold Ions in Booster, AGS, and RHIC
Gardner, C. J. [Brookhaven National Lab. (BNL), Upton, NY (United States). Collider-Accelerator Dept.
2014-08-15
The nominal parameters for helions (helion is the bound state of two protons and one neutron, the nucleus of a helium-3 atom) and gold ions in Booster, AGS, and RHIC are given for the FY2014 running period. The parameters are found using various formulas to derive mass, helion anomalous g-factor, kinetic parameters, RF parameters, ring parameters, etc..
The measurement of mechanical parameters in machines
Rayevskii, N P
1965-01-01
The Measurement of Mechanical Parameters in Machines is a translation from the Russian version and presents methods used in the U.S.S.R. for measuring mechanical properties. This book discusses different indicators and accepted methods of measuring separate parameters. This text also explains the metrological characteristics of mechanical parameters that can be determined by applying the equations of motion, usually represented as equations of kinetic energy or as a Lagrangian equation. The electrical methods of measuring machines and recording results are noted, and the kinds of methods pref
Dissolution kinetics of magnetoplumbite
A magnetoplumbite-structure ceramic with bulk composition Ca1La Al127 O19 was reacted for time periods up to 65 days with solutions at pH=1, 7, and 10.5 at temperatures of 50 and 900C. Linear kinetics were established for all three ions in acid solutions, and forward reaction rate constants were calculated. Maximum dissolution rates in neutral and basic solutions were less than those of the background concentration generated by the rapid dissolution of a CaAl4O7 minor impurity phase
Stochastic Electrochemical Kinetics
Beruski, O
2016-01-01
A model enabling the extension of the Stochastic Simulation Algorithm to electrochemical systems is proposed. The physical justifications and constraints for the derivation of a chemical master equation are provided and discussed. The electrochemical driving forces are included in the mathematical framework, and equations are provided for the associated electric responses. The implementation for potentiostatic and galvanostatic systems is presented, with results pointing out the stochastic nature of the algorithm. The electric responses presented are in line with the expected results from the theory, providing a new tool for the modeling of electrochemical kinetics.
Size dependence of adsorption kinetics of nano-MgO: a theoretical and experimental study
Wang, Shuting; Wen, Yanzhen; Cui, Zixiang; Xue, Yongqiang, E-mail: xyqlw@126.com [Taiyuan University of Technology (China)
2016-01-15
Nanoparticles present tremendous differences in adsorption kinetics compared with corresponding bulk particles which have great influences on the applications of nanoparticles. A size-dependent adsorption kinetic theory was proposed, the relations between adsorption kinetic parameters, respectively, and particle size of nano-adsorbent were derived theoretically, and the influence mechanism of particle size on the adsorption kinetic parameters was discussed. In experiment, nanoscale magnesium oxide (nano-MgO) with different diameters between 11.5 and 41.4 nm with narrow size distribution and low agglomeration were prepared, and the kinetic parameters of adsorption of benzene on nano-MgO in aqueous solution were obtained. Then the influence regularities of the particle size on the adsorption kinetic parameters were obtained. The experimental results are consistent with the nano-adsorption kinetic theory. With particle size decreasing, the adsorption rate constant increases; the adsorption activation energy and the adsorption pre-exponential factor decrease. Furthermore, the logarithm of adsorption rate constant, the adsorption activation energy, and the logarithm of adsorption pre-exponential factor are linearly related to the reciprocal of particle diameter, respectively. The mechanism of particle size influence on the kinetic parameters is that the activation energy is influenced by the molar surface enthalpy of nano-adsorbent, the pre-exponential factor by the molar surface entropy, and the rate constant by both the molar surface enthalpy and the molar surface entropy.
Size dependence of adsorption kinetics of nano-MgO: a theoretical and experimental study
Nanoparticles present tremendous differences in adsorption kinetics compared with corresponding bulk particles which have great influences on the applications of nanoparticles. A size-dependent adsorption kinetic theory was proposed, the relations between adsorption kinetic parameters, respectively, and particle size of nano-adsorbent were derived theoretically, and the influence mechanism of particle size on the adsorption kinetic parameters was discussed. In experiment, nanoscale magnesium oxide (nano-MgO) with different diameters between 11.5 and 41.4 nm with narrow size distribution and low agglomeration were prepared, and the kinetic parameters of adsorption of benzene on nano-MgO in aqueous solution were obtained. Then the influence regularities of the particle size on the adsorption kinetic parameters were obtained. The experimental results are consistent with the nano-adsorption kinetic theory. With particle size decreasing, the adsorption rate constant increases; the adsorption activation energy and the adsorption pre-exponential factor decrease. Furthermore, the logarithm of adsorption rate constant, the adsorption activation energy, and the logarithm of adsorption pre-exponential factor are linearly related to the reciprocal of particle diameter, respectively. The mechanism of particle size influence on the kinetic parameters is that the activation energy is influenced by the molar surface enthalpy of nano-adsorbent, the pre-exponential factor by the molar surface entropy, and the rate constant by both the molar surface enthalpy and the molar surface entropy
Extending ITC to Kinetics with kinITC.
Dumas, Philippe; Ennifar, Eric; Da Veiga, Cyrielle; Bec, Guillaume; Palau, William; Di Primo, Carmelo; Piñeiro, Angel; Sabin, Juan; Muñoz, Eva; Rial, Javier
2016-01-01
Isothermal titration calorimetry (ITC) has long been used for kinetic studies in chemistry, but this remained confined to enzymatic studies in the biological field. In fact, the biological community has long had the tendency of ignoring the kinetic possibilities of ITC considering it solely as a thermodynamic technique, whereas surface plasmon resonance is seen as the kinetic technique par excellence. However, the primary signal recorded by ITC is a heat power which is directly related to the kinetics of the reaction. Here, it is shown how this kinetic signal can be recovered by using kinITC, the kinetic extension of ITC. The theoretical basis of kinITC is detailed for the most common situation of a second-order reaction A+B Ω C characterized by kinetic parameters kon, koff. A simplified kinITC-ETC method based upon the determination of an "Equilibration Time Curve" (ETC) is presented. The ETC is obtained by automatic determination of the "effective end" of each injection. The method is illustrated with experimental results with a comparison to Surface Plasmon Resonance (SPR) data. kon values were obtained in a wide range, from 10(3) to 0.5×10(6) M(-1) s(-1). All procedures were implemented in the program AFFINImeter (https://www.affinimeter.com/). PMID:26794354
Kinetics of pressure induced structural phase transitions—A review
N V Chandra Shekar; K Govinda Rajan
2001-02-01
The current status of experimental as well as theoretical advances in the understanding of kinetics of structural phase transitions is reviewed. A brief outline of the classification of phase transitions and classical ideas in the theory of kinetics of phase change is presented first. High pressure experimental techniques developed for studying the kinetics of structural transitions are reviewed and the salient features of each technique is brought out. The experimental technique using the diamond anvil cell (DAC) and image processing gets special mention as it promises to impart a new direction to this field. The usefulness of kinetic parameters in understanding the mechanism of a phase transition is examined. Typical examples from the literature are provided to give a flavour for these kind of studies. In conclusion, several open questions are raised which could pave way for future work in this area.
Electron transfer kinetics at polarized nanoscopic liquid/liquid interfaces.
Cai, Chenxin; Mirkin, Michael V
2006-01-11
Rapid kinetics of electron transfer (ET) reactions across the interface between water and 1,2-dichloroethane were measured by steady-state voltammetry at nanopipet electrodes (50- to 400-nm orifice radius). The origins of previously reported imperfect voltammetric responses of ET reactions at micropipets were investigated. Several new experimental systems were explored, and two of them yielded high-quality voltammograms suitable for kinetic experiments. The determined standard rate constants were compared to those measured previously at polarized and nonpolarized liquid/liquid interfaces. The effect of the interfacial dimensions on the magnitude of the apparent ET rate constant is discussed. A new approach to ET kinetic measurements based on the use of the scanning electrochemical microscope with a nanopipet tip and a metallic substrate has been developed and employed to check the validity of determined kinetic parameters. PMID:16390144
On the kinetic theory of the one-component plasma
In this thesis, kinetic theory is applied to transport phenomena of a one-component plasma. Existing kinetic equations, containing both dynamical screening effects and close binary collisions do not suffer from divergencies. Recently an approximation for the pair correlation function has been proposed that is valid for small values of the plasma collision parameter. Upon insertion of this expression into the general form of the collision integral, one obtains another convergent kinetic equation. This thesis shows that both kinetic equations yield the same coefficient of heat conductivity and viscosity; and that for a hot dilute plasma the arbitrary transport coefficient is rather insensitive to the pair correlation function. In the second part, the author studies the diffusion of a tagged particle in an external magnetic field. It is found that the longitudinal self-diffusion coefficient contra-varies monotonically with the magnetic field strength. (Auth.)
[The kinetic theory of the aging of living systems].
Viktorov, A A; Kholodnov, V A
2013-01-01
Kinetic theory of aging of living systems is proposed. Theory is based on the concept of continuous adaptation of biological system (BS) from its birth to changing conditions of environment (ENV). Adaptation rate as rate of risk of destructions accumulation in BS is studied as competition between two simultaneous processes: BS destruction and recombination of damages defined by kinetics of autocatalytic chemical reactions. Kinetic theory assumes critical phenomenon: failure of adaptation when intensity of ENV impact becomes higher some critical level. Choice of parameters of kinetic mathematical model and accounting dependence of ENV impact intensity on time allows describing the following results observed in medical practice: child mortality, depletion of adaptive reserves, slowing the rate of aging of long-living persons, damped harmonic oscillations of biological response at pulse toxic intervention and to estimate risks of disease and death. PMID:24003729
Kinetic Simulations of Ladder Climbing and Autoresonance of Plasma Waves
Kaminski, Erez; Barth, Ido; Fisch, Nat; Dodin, Ilya
2015-11-01
Quantum like Ladder Climbing and Autoresonance of classical Langmuir waves in bounded plasmas are numerically studied within a kinetic model and compared with earlier fluid model simulations. Both dynamical solutions are excited and controlled via chirped modulations of the background density that preserve the plasma wave quanta. Landau damping determines the system's maximal stable level, imposing a kinetic limit on the maximal level of the Ladder Climbing or Autoresonance dynamics. Vlasov simulations are employed to test the kinetic stability of both dynamics and to find the kinetic limit for different system's parameters. This work was Supported by NNSA grant DE274-FG52-08NA28553, DOE contract DE-AC02-09CH11466, and DTRA grant HDTRA1-11-1-0037.
Kinetic resistance of hydraulic cylinder piston ring seal structure
According to the step motion of single cylinder for Control Rod Hydraulic Drive Mechanism (CRHDM) and the characteristics of the hydraulic cylinder piston ring seal structure, the source of kinetic resistance during step motion process was analyzed, the theoretical model of the dynamic step motion process was built and the value of kinetic resistance based on the results of the control rod hydraulic drive mechanism single cylinder experiment was deduced. By analyzing the relationship between kinetic resistance and the dynamic parameters of the step motion process including the pressure and the velocity of the inner cylinder, calculation model of the kinetic resistance during the step motion process was obtained. The displacement curve inferred from this model agrees with the experimental data. This model would be helpful for the dynamic simulation of the step motion process and the stress analysis of the control rod hydraulic drive mechanism. (authors)
Kinetic Modelling of Macroscopic Properties Changes during Crosslinked Polybutadiene Oxidation
Audouin, Ludmila; Coquillat, Marie; Colin, Xavier; Verdu, Jacques; Nevière, Robert
2008-08-01
The thermal oxidation of additive free hydroxyl-terminated polybutadiene (HTPB) isocyanate crosslinked rubber bulk samples has been studied at 80, 100 and 120 °C in air. The oxidation kinetics has been monitored by gravimetry and thickness distribution of oxidation products was determined by FTIR mapping. Changes of elastic shear modulus G' during oxidation were followed during oxidation at the same temperatures. The kinetic model established previously for HTPB has been adapted for bulk sample oxidation using previously determined set of kinetic parameters. Oxygen diffusion control of oxidation has been introduced into the model. The mass changes kinetic curves and oxidation products profiles were simulated and adequate fit was obtained. Using the rubber elasticity theory the elastic modulus changes were simulated taking into account the elastically active chains concentration changes due to chain scission and crosslinking reactions. The reasonable fit of G' as a function of oxidation time experimental curves was obtained.
Non-Isothermal Desolvation Kinetics of Erythromycin A Acetone Solvate
无
2007-01-01
The desolvation of erythromycin acetone solvate was investigated under non-isothermal conditions by a thermogravimetric analyzer. This paper emphasized the kinetic analysis of non-isothermal TG-DTA data by Achar method and Coats-Redfern method to fit various solid-state reaction models, and to achieve kinetic parameters of desolvation. The mechanism of thermal desolvation was evaluated using the kinetic compensation effect. The results show that kinetics of desolvation of erythromycin acetone solvate was compatible with the mechanism of a two-dimensional diffusion controlled and was best expressed by Valensi equation. Corresponding to the integral method and the differential method, the activation energy of desolvation of erythromycin acetone solvate was estimated to be 51.26-57.11 kJ/mol, and the pre-exponential factor was 8.077 × 106 s-1-4.326 × 107 s-1,respectively.
Thermal Characterization and Decomposition Kinetics of Free Anthraquinones from Rhubarb
Li Ming ZHANG; Xia LI; Yu Jie DAI
2006-01-01
The thermal behaviour of aloe-emodin, chrysophanol and physcion and their kinetics have been investigated under non-isothermal conditions by means of differential thermal analysis (DTA) and thermogravimetry (TG). The thermal characteristics have been determined using the DTA and TG-DTG curves. The non-isothermal kinetic data were analyzed by means of the Achar method and the Madhusudanan-Krishnan-Ninan (MKN) method. The possible reaction mechanisms have been investigated by comparing the kinetic parameters. The kinetic equation for aloe-emodin, chrysophanol and physcion can be expressed as dα/dt=Aexp(-E/RT)1/3(1-α)[-In(1-α)]-2. The activation energy E (kJ mol-1) of the three free anthraquinones are 78.09, 89.54,and 107.5 and their lnA/s-1 are 22.98, 36.85 and 43.60, respectively.
ZHANG Zhiying; WU Shizhen; DU Yinghua; CAO Zhenlin
1991-01-01
The non-isothermal crystallization kinetics of poly(ethylene terephthalate) (PET) modified by poly (ethlene glycol) (PEG) were determined by DSC. The dual linear regression method was used to evaluate the relationship between the reciprocal of t1/2 ( the half life of crystallization ) and the appropriate temperature variable. The parameters such as the activation energy (Ed) for transport,the equilibrium melting temperature (T0m),the nucleation parameter (ψ),the maximum crystallization temperature (Tc, max ) , and the kinetic crystallizability (G) for the copolyesters were obtained. The influence of the PEG content in PET chains on the parameters characterizing crystallization kinetics and crystallization thermodynamics was discussed.
Chemical kinetics of gas reactions
Kondrat'Ev, V N
2013-01-01
Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema
Biodegradation kinetics during different start up of the anaerobic tapered fluidized bed reactor
Rangasamy Parthiban
2011-10-01
Full Text Available Kinetic study for different start up conditions of the anaerobic digestion of wastewater derived from the sago processingfrom tubers of tapioca (Mannihot utillisema is discussed. The experiment is carried out with synthetic waste water usinga tapered fluidized bed reactor. Mesoporous granulated activated carbon is used as a bacterial support. The kinetic modelfollows half order kinetics for substrate utilization and for methane formation and it exhibits an order of 0.20 during thestart up of the reactor without acclimatization. For the remaining start up with acclimatized sludge, kinetic parameters areexpressed in terms of Langmuir-Hinshelwood kinetics for the substrate utilization. The methane formation kinetics followsan order of the reaction as 0.30. The values of the kinetic constants are in the range of 0.13–0.21.
Theory of Square-wave Voltammetry of Kinetically Controlled Two-step Electrode Reactions
Lovrić, Milivoj; Komorsky-Lovrić, Šebojka
2012-01-01
An influence of electron transfer kinetics on square-wave voltammograms of two-step electrode reaction is investigated theoretically. A phenomenon of “kinetic burden” of potential inversion is described for the case of equal kinetic parameters. A linear relationship between standard rate constant and the difference between standard potentials of the second and the first charge transfers is demonstrated for the reactions with thermodynamically unstable intermediate. (doi: 10.5562/cca2126)
Chemical Kinetics on Extrasolar Planets
Moses, Julianne I
2013-01-01
Chemical kinetics plays an important role in controlling the atmospheric composition of all planetary atmospheres, including those of extrasolar planets. For the hottest exoplanets, the composition can closely follow thermochemical-equilibrium predictions, at least in the visible and infrared photosphere at dayside (eclipse) conditions. However, for atmospheric temperatures < ~2000 K, and in the uppermost atmosphere at any temperature, chemical kinetics matters. The two key mechanisms by which kinetic processes drive an exoplanet atmosphere out of equilibrium are photochemistry and transport-induced quenching. We review these disequilibrium processes in detail, discuss observational consequences, and examine some of the current evidence for kinetic processes on extrasolar planets.
Adsorption analysis equilibria and kinetics
Do, Duong D
1998-01-01
This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such
Amyloplast Sedimentation Kinetics in Corn Roots
Leopold, A. C.; Sack, F.
1985-01-01
Knowledge of the parameters of amyloplast sedimentation is crucial for an evaluation of proposed mechanisms of root graviperception. Early estimates of the rate of root amyloplast sedimentation were as low as 1.2 micron/min which may be too slow for many amyloplasts to reach the vicinity of the new lower wall within the presentation time. On this basis, Haberlandt's classical statolith hypothesis involving amyloplast stimulation of a sensitive surface near the new lower wall was questioned. The aim was to determine the kinetics of amyloplast sedimentation with reference to the presentation time in living and fixed corn rootcap cells as compared with coleoptiles of the same variety.
Kinetic coefficients for quark-antiquark plasma
The quark-antiquark plasma near equilibrium is studied. The results are based on the Heinz kinetic equations with the Boltzmann collision operator approximated by a relaxation term with the relaxation time, τ, treated as a small parameter. Linear in τ solutions of these equations are used to calculate the transport coefficients: the non-abelian version of Ohm's law, and the shear and volume viscosities. We introduce new chemical potentials which determine the color density matrix of quarks (antiquarks). Gradients of these potentials generate color currents. 12 refs. (author)
Solitary kinetic Alfven waves in adiabatic process
Solitary kinetic Alfven waves (SKAWs) have been an important subject in the field of space plasma physics because of their nonzero parallel electrical field and density fluctuations. Under different thermodynamic processes, SKAWs, within the limit of small amplitude, are studied analytically and numerically using the Sagdeev potential method. The results show that the width of the solitary structures is larger and the amplitude of the density humps is smaller under constant entropy than those under constant temperature with other relevant parameters being the same. The perturbed electromagnetic fields Ex, By, and Ez are also studied further.
Desulfurization kinetics of coal combustion gases
Bragança S.R.; Jablonski A.; Castellan J.L.
2003-01-01
Desulfurization of the gases from coal combustion was studied, using limestone (marble) as the sorbent in a fluidized-bed reactor. The kinetic parameter, k, was measured by analyzing the reduction in SO2 emissions in relation to time when a batch of limestone was introduced directly into the combustor chamber. The influence of sorbent composition and particle size was also studied. The CaO content in the limestone was more important than the MgO content. Sorbent particle size showed a strong ...
KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYNTHESIS
Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski
2006-09-29
This report covers the fourth year of a research project conducted under the University Coal Research Program. The overall objective of this project is to develop a comprehensive kinetic model for slurry-phase Fischer-Tropsch synthesis (FTS) employing iron-based catalysts. This model will be validated with experimental data obtained in a stirred-tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (water, carbon dioxide, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the fourth year of the project, an analysis of experimental data collected during the second year of this project was performed. Kinetic parameters were estimated utilizing product distributions from 27 mass balances. During the reporting period two kinetic models were employed: a comprehensive kinetic model of Dr. Li and co-workers (Yang et al., 2003) and a hydrocarbon selectivity model of Van der Laan and Beenackers (1998, 1999) The kinetic model of Yang et al. (2003) has 24 parameters (20 parameters for hydrocarbon formation, and 4 parameters for the water-gas-shift (WGS) reaction). Kinetic parameters for the WGS reaction and FTS synthesis were estimated first separately, and then simultaneously. The estimation of these kinetic parameters employed the Levenberg-Marquardt (LM) method and the trust-region reflective Newton large-scale (LS) method. A genetic algorithm (GA) was incorporated into estimation of parameters for FTS reaction to provide initial estimates of model parameters. All reaction rate constants and activation energies were found to be positive, but at the 95% confidence level the intervals were large. Agreement between predicted and experimental reaction rates has been fair to good. Light hydrocarbons are predicted fairly accurately, whereas the model underpredicts values of higher molecular weight
A kinetic compartment model for evaluating salivary gland scintigraphies
Afzelius, Pia; Fuglsang, Stefan
2014-01-01
PURPOSE: The semi-quantitative analysis of salivary gland scintigraphy with (99m) Tc-pertechnetate has been used to evaluate salivary gland function. However, no objective parameters distinguishing abnormal from normal functions have been established thus far. We propose using a simple kinetic...... model applied to the four major salivary glands. This kinetic model is based on a two-compartment model and the assumption of first-order kinetics to characterize normal salivary gland function and other selected parameters to evaluate the normal function of salivary glands. METHODS: Thirty patients...... referred for (99m) Tc-pertechnetate thyroid scintigraphy were studied. Dynamic imaging of the head in a fixed anterior projection was performed after an intravenous bolus injection of 150 MBq (99m) Tc-pertechnetate using a gamma scintillation camera. After 30 min, lemon juice was orally administered...
Modeling Biodegradation Kinetics on Benzene and Toluene and Their Mixture
Aparecido N. Módenes
2007-10-01
Full Text Available The objective of this work was to model the biodegradation kinetics of toxic compounds toluene and benzene as pure substrates and in a mixture. As a control, Monod and Andrews models were used. To predict substrates interactions, more sophisticated models of inhibition and competition, and SKIP (sum kinetics interactions parameters model were applied. The models evaluation was performed based on the experimental data from Pseudomonas putida F1 activities published in the literature. In parameter identification procedure, the global method of particle swarm optimization (PSO was applied. The simulation results show that the better description of the biodegradation process of pure toxic substrate can be achieved by Andrews' model. The biodegradation process of a mixture of toxic substrates is modeled the best when modified competitive inhibition and SKIP models are used. The developed software can be used as a toolbox of a kinetics model catalogue of industrial wastewater treatment for process design and optimization.
Transition of electron kinetics in weakly magnetized inductively coupled plasmas
Transition of the electron kinetics from nonlocal to local regime was studied in weakly magnetized solenoidal inductively coupled plasma from the measurement of the electron energy probability function (EEPF). Without DC magnetic field, the discharge property was governed by nonlocal electron kinetics at low gas pressure. The electron temperatures were almost same in radial position, and the EEPFs in total electron energy scale were radially coincided. However, when the DC magnetic field was applied, radial non-coincidence of the EEPFs in total electron energy scale was observed. The electrons were cooled at the discharge center where the electron heating is absent, while the electron temperature was rarely changed at the discharge boundary with the magnetic field. These changes show the transition from nonlocal to local electron kinetics and the transition is occurred when the electron gyration diameter was smaller than the skin depth. The nonlocal to local transition point almost coincided with the calculation results by using nonlocal parameter and collision parameter
On relativistic kinetic theory
The principles of relativistic quantum kinetic theory are outlined. The transport equation, which the relativistic Wigner distribution function should satisfy, is explicitly given for systems of particles without internal degrees of freedom. Subsequently the linear theory, leading to linear laws for the transport processes, is developed. In particular the collision brackets are expressed in terms of collision integrals. As a characteristic example recent work on neutrino-antineutrino mixtures is reviewed. The numerical values of the transport coefficients obtained are of importance for the evolution of the universe during the lepton era, which lasted from 10-4 to 10 seconds after the hot big bang. It is found that during that era neutrinos and antineutrinos may separate in temperature fields, rather than annihilate each other. This result would constitute a first indication of how matter and antimatter may get spatially apart. (Auth.)
Marklof, Jens
2009-01-01
One of the central challenges in kinetic theory is the derivation of macroscopic evolution equations--describing, for example, the dynamics of an electron gas--from the underlying fundamental microscopic laws of classical or quantum mechanics. An iconic mathematical model in this research area is the Lorentz gas, which describes an ensemble of non-interacting point particles in an infinite array of spherical scatterers. In the case of a disordered scatterer configuration, the classical results by Gallavotti, Spohn and Boldrighini-Bunimovich-Sinai show that the time evolution of a macroscopic particle cloud is governed, in the limit of small scatterer density (Boltzmann-Grad limit), by the linear Boltzmann equation. In this lecture I will discuss the recent discovery that for a periodic configuration of scatterers the linear Boltzmann equation fails, and the random flight process that emerges in the Boltzmann-Grad limit is substantially more complicated. The key ingredient in the description of the limiting st...
Ruan, Zhongyuan; Karsai, Marton; Kertesz, Janos
2015-01-01
Diffusion of information, behavioural patterns or innovations follows diverse pathways depending on a number of conditions, including the structure of the underlying social network, the sensitivity to peer pressure and the influence of media. Here we study analytically and by simulations a general model that incorporates threshold mechanism capturing sensitivity to peer pressure, the effect of `immune' nodes who never adopt, and a perpetual flow of external information. While any constant, non-zero rate of dynamically-introduced innovators leads to global spreading, the kinetics by which the asymptotic state is approached show rich behaviour. In particular we find that, as a function of the density of immune nodes, there is a transition from fast to slow spreading governed by entirely different mechanisms. This transition happens below the percolation threshold of fragmentation of the network, and has its origin in the competition between cascading behaviour induced by innovators and blocking of adoption due ...
Ruan, Zhongyuan; Iñiguez, Gerardo; Karsai, Márton; Kertész, János
2015-11-01
Diffusion of information, behavioral patterns or innovations follows diverse pathways depending on a number of conditions, including the structure of the underlying social network, the sensitivity to peer pressure and the influence of media. Here we study analytically and by simulations a general model that incorporates threshold mechanism capturing sensitivity to peer pressure, the effect of "immune" nodes who never adopt, and a perpetual flow of external information. While any constant, nonzero rate of dynamically introduced spontaneous adopters leads to global spreading, the kinetics by which the asymptotic state is approached shows rich behavior. In particular, we find that, as a function of the immune node density, there is a transition from fast to slow spreading governed by entirely different mechanisms. This transition happens below the percolation threshold of network fragmentation, and has its origin in the competition between cascading behavior induced by adopters and blocking due to immune nodes. This change is accompanied by a percolation transition of the induced clusters.
Imperfect dark energy from kinetic gravity braiding
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 Energy. As an example, we study in detail a simple one-parameter model. The possible observational signatures of this model include a sizeable Early Dark Energy and a specific equation of state evolving into the final de-Sitter state from a healthy phantom regime
Hot Deformation Kinetics of Magnesium Alloy AZ31
WANG Lingyun; HUANG Guangjie; FAN Yonge; LU Zhiwen; PAN Fusheng
2006-01-01
The flow stress at elevated temperatures for magnesium alloy AZ31 was studied using isothermal compression testing. The effect of deformation parameters on the flow stress was studied as well. The kinetics of elevated temperature deformation was expressed by means of some empirical rate equations. The activation parameter has been calculated. A mechanism for the dynamic softening of AZ31 alloy in a hot deformation experiment was identified to be the dynamic recrystallization.
Thermodynamic and kinetic characterization of a zirconium chelate
The chemical preparation, composition and characteristics of a zirconium complex with hemateine was studied. Hematein is the common name of an organic compound containing hydroxy-aromatic and hydroxyquinonic groups. The stability constant of this complex was determined spectrophotometrically. Other thermodynamic parameters for the complex formation were also determined; the effect of temperature on these parameters was examined. Reaction kinetics was investigated, as well as the charge of reacting species for the formation of the activated complex. (C.L.B.)
Kinetics of the generation of the petroleum: Principles and application in the Colombian basins
Most of the mathematical models that describe the conversion of kerogen into petroleum are based on the formulations of first-order kinetics. Although the application of such models requires the knowledge of the kinetic parameters (activation energies and frequency factor) of the kerogen, the usual practice in basin modeling studies is to use kinetic data of standard kerogen types (I, II or III) when measured data are not available. In this study, Rock-Eval pyrolysis under different heating rates and numerical optimization techniques were used to determine the kinetic parameters of cretaceous and tertiary source rocks of the upper Magdalena and llanos basins. The obtained kinetic parameters revealed a significant variability, which appears to be unrelated to the kerogen type classification based on hydrogen and oxygen indices. Modeling exercises under a constant heating rate (1.25 degrades C/M.y., 274.5K/M.y.) using the measured kinetic data indicates that kerogen conversion of organic facies with distinct kinetic parameters may be out of phase by 20-30M.y. therefore, petroleum generation and expulsion history might be longer and more complex than if the kinetic behavior of these rocks was considered homogeneous. These differences are critical in defining the timing between petroleum generations a trap formation/destruction, particularly in the case of the Colombian sedimentary basins, characterized by a highly complex tectonic evolution
Fondeur, F
2006-03-08
The Dubinin-Astashov (DA) isotherm parameters for U, Pu, Sr and Np have been updated to include additional data obtained since the original derivation. The DA isotherms were modified to include a kinetic function derived by Rahn to describe sorbate loading from the beginning of sorption up to steady state. The final functions describe both kinetic and thermodynamic sorption.
Measurement of Enzyme Kinetics by Use of a Blood Glucometer: Hydrolysis of Sucrose and Lactose
Heinzerling, Peter; Schrader, Frank; Schanze, Sascha
2012-01-01
An alternative analytical method for measuring the kinetic parameters of the enzymes invertase and lactase is described. Invertase hydrolyzes sucrose to glucose and fructose and lactase hydrolyzes lactose to glucose and galactose. In most enzyme kinetics studies, photometric methods or test strips are used to quantify the derivates of the…
LI Minhui; WANG Xiaogong; LIU Deshan; ZHOU Qixiang
1991-01-01
The phase transition kinetics of thermotropic liquid crystalline aromatic-aliphatic regular copolyester:(X) were studied by DSC. By means of Kissinger's method the kinetic equation and parameters including activation energy, rate order and preexponential factor for phase transition from nematic to isotropic were obtained. The activation energy from crystal to nematic was also presented.
Utilization of Integrated Michaelis-Menten Equation to Determine Kinetic Constants
Bezerra, Rui M. F.; Dias, Albino A.
2007-01-01
Students of biochemistry and related biosciences are urged to solve problems where kinetic parameters are calculated from initial rates obtained at different substrate concentrations. Troubles begin when they go to the laboratory to perform kinetic experiments and realize that usual laboratory instruments do not measure initial rates but only…
Two of the methods that can be used for the measurement of the subcriticality of a multiplying system are the inverse kinetic (IK) and the pulsed neutron source (PNS) techniques. These methods depend considerably on correction factors and/or kinetic parameters, which usually need to be calculated using the same neutronic codes as those being validated via the experiments. The use of epithermal detectors to reduce the dependence of area-ratio PNS measurements on calculated correction factors was reported previously. In the current work, for the first time, epithermal detectors have been used for IK measurements. As in the case of the PNS experiments, these were carried out in core/reflector configurations with large spatial effects, systematic comparisons with thermal measurements clearly bringing out the considerably lower sensitivity of the epithermal IK results to calculational corrections. A new two-group point-kinetic model has currently been developed as an extension of the usual theoretical basis (employing a single energy group) for analyzing kinetic experiments. This has been essential for justifying the analysis methodology employed for the epithermal IK measurements
Kinetic Studies of the Solvolysis of Two Organic Halides
Duncan, J. A.; Pasto, D. J.
1975-01-01
Describes an undergraduate organic chemistry laboratory experiment which utilizes the solvolysis of organic halides to demonstrate first and second order reaction kinetics. The experiment also investigates the effect of a change of solvent polarity on reaction rate, common-ion and noncommon-ion salt effects, and the activation parameters of a…
Extraction kinetics and properties of proanthocyanidins from pomegranate peel
With an objective of developing a safe and efficient method to extract proanthocyanidins products from pomegranate peel for use in nutraceuticals or as food additives, the effects of extraction parameters on the production efficiency, product properties, and extraction kinetics were systematically s...
Kinetic Analysis of the Thermal Processing of Silica and Organosilica
Kappert, Emiel J.; Bouwmeester, H.J.M.; Benes, N.E.; Nijmeijer, A.
2014-01-01
The incorporation of an organic group into sol–gel-derived silica causes significant changes in the structure and properties of these materials. Therefore, the thermal treatment of organosilica materials may require a different approach. In the present paper, kinetic parameters (activation energy, p
Investigation of the kinetics of acyl group exchange Pt. 6
Kinetics and mechanism of acyl exchange between 4-nitrophenyl thiolacetate and acetic-1-14C acid or acetic-1-14C anhydride in pyridine and toluene were studied. Comparison of the rate constants and activation parameters to those obtained with 4-nitrophenyl acetate showed a common mechanism for exchange with acetic acid but different pathways for the reaction with acetic anhydride. (author)
Kinetics of electrochemical scandium reduction in molten alkali metal chlorides
The mechanism has been studied and kinetic parameters ascertained for Sc3+ ions reduction in eutectic melt of NaCl-KCl-CsCl at temperatures from 817 to 928 K using the methods of cyclic voltametry, chronopotentiometry and chronoamperometry. Temperature dependence of diffusion factor, equilibrium constant and dissociation rate constant of the complexes have been determined
Dimensional enhancement of kinetic energies
Schleich, W. P.; Dahl, Jens Peder
2002-01-01
Simple thermodynamics considers kinetic energy to be an extensive variable which is proportional to the number, N, of particles. We present a quantum state of N non-interacting particles for which the kinetic energy increases quadratically with N. This enhancement effect is tied to the quantum centrifugal potential whose strength is quadratic in the number of dimensions of configuration space.
Dimensional enhancement of kinetic energies
Schleich, W.P.; Dahl, Jens Peder
2002-01-01
Simple thermodynamics considers kinetic energy to be an extensive variable which is proportional to the number N of particles. We present a quantum state of N noninteracting particles for which the kinetic energy increases quadratically with N. This enhancement effect is tied to the quantum centr...... centrifugal potential whose strength is quadratic in the number of dimensions of configuration space....
Kinetic competition during glass formation
Highlights: • The kinetics of glass formation has been elucidated in an Fe and Au-base alloy. • A critical cooling rate range should be considered for glass formation. • Wedge casting, calorimetry and upquenching data are used to model TTT curves. - Abstract: For vitrification of an alloy melt during cooling there is a kinetic competition with the nucleation and growth of metastable and stable crystalline phases. Many of the measures of glass forming ability (GFA) attempt to capture some of the features of the kinetic competition, but the GFA metrics are static measures and the kinetic processes are dynamic in nature. In fact, the critical cooling rate for glass formation should be viewed in terms of a critical cooling rate range to acknowledge the stochastic nature of crystal nucleation behavior. Direct measurements of the critical cooling rate range confirm this behavior and also provide useful input for kinetics analysis. Usually kinetics analyses are based upon crystallization behavior that is measured either isothermally or upon heating to temperatures near the crystallization onset, Tx and the results are extrapolated to much higher temperatures. This practice is based upon a number of assumptions about transport behavior in the undercooled liquid. With rapid up-quenching of amorphous samples, the high temperature crystallization behavior can be measured and used to refine the kinetics analysis and provide useful insight on the kinetic competition and glass forming ability
Ensemble Kinetic Modeling of Metabolic Networks from Dynamic Metabolic Profiles
Gengjie Jia
2012-11-01
Full Text Available Kinetic modeling of metabolic pathways has important applications in metabolic engineering, but significant challenges still remain. The difficulties faced vary from finding best-fit parameters in a highly multidimensional search space to incomplete parameter identifiability. To meet some of these challenges, an ensemble modeling method is developed for characterizing a subset of kinetic parameters that give statistically equivalent goodness-of-fit to time series concentration data. The method is based on the incremental identification approach, where the parameter estimation is done in a step-wise manner. Numerical efficacy is achieved by reducing the dimensionality of parameter space and using efficient random parameter exploration algorithms. The shift toward using model ensembles, instead of the traditional “best-fit” models, is necessary to directly account for model uncertainty during the application of such models. The performance of the ensemble modeling approach has been demonstrated in the modeling of a generic branched pathway and the trehalose pathway in Saccharomyces cerevisiae using generalized mass action (GMA kinetics.
Villadsen, John
2015-01-01
his chapter predicts the specific rates of reaction by means of a mathematical expression, the kinetics of the reaction. This expression can be derived through a mechanistic interpretation of an enzymatically catalyzed reaction, but it is essentially of empirical nature for cell reactions. The...... models can be used in mass balances for design of processes under process conditions not yet studied experimentally. The value of the predictive kinetic model depends on the quality of the experimental data on which the model is based, and well-founded kinetic models for enzyme reactions have a...... considerable predictive power. This is also true for cell reaction models, when the model is used in its proper context. The chapter first discusses the kinetics for enzymatically catalyzed reactions (“enzyme reactions”). The kinetics can be derived from a mechanistic model. Then, the chapter derives empirical...
Kinetics model development of cocoa bean fermentation
Kresnowati, M. T. A. P.; Gunawan, Agus Yodi; Muliyadini, Winny
2015-12-01
Although Indonesia is one of the biggest cocoa beans producers in the world, Indonesian cocoa beans are oftenly of low quality and thereby frequently priced low in the world market. In order to improve the quality, adequate post-harvest cocoa processing techniques are required. Fermentation is the vital stage in series of cocoa beans post harvest processing which could improve the quality of cocoa beans, in particular taste, aroma, and colours. During the fermentation process, combination of microbes grow producing metabolites that serve as the precursors for cocoa beans flavour. Microbial composition and thereby their activities will affect the fermentation performance and influence the properties of cocoa beans. The correlation could be reviewed using a kinetic model that includes unstructured microbial growth, substrate utilization and metabolic product formation. The developed kinetic model could be further used to design cocoa bean fermentation process to meet the expected quality. Further the development of kinetic model of cocoa bean fermentation also serve as a good case study of mixed culture solid state fermentation, that has rarely been studied. This paper presents the development of a kinetic model for solid-state cocoa beans fermentation using an empirical approach. Series of lab scale cocoa bean fermentations, either natural fermentations without starter addition or fermentations with mixed yeast and lactic acid bacteria starter addition, were used for model parameters estimation. The results showed that cocoa beans fermentation can be modelled mathematically and the best model included substrate utilization, microbial growth, metabolites production and its transport. Although the developed model still can not explain the dynamics in microbial population, this model can sufficiently explained the observed changes in sugar concentration as well as metabolic products in the cocoa bean pulp.
Enolisation Kinetics of m-Nitro Acetophenone
Swati Malhotra
2014-03-01
Full Text Available m-Nitroacetophenone was chosen for the study of kinetics of enolisation. The rate of the reaction was studied by iodination. The kinetics of the reaction was monitored under several conditions of variation of ketone concentration, dielectric constant of the medium , temperature, effect of catalyst etc. In addition to this four different amino acids viz. β-alanin, DL-alanin, L-alanin and Glycine were tested as catalyst for the enolisation process. The rate of enolisation was found to increase with the increase in then ketone concentration , percentage composition of the solvent mixture and also with the increase in the dipole moments of the amino acids. Pseudofirst order rate kinetics was operational and the rate constants were found to increase with the increase in the amino acid molarity. Linear plots obtained for log of rate constants versus reciprocal of temperature which were in good agreement with Arrhenius equation. The values of thermodynamic parameters like Entropy (∆S≠ , Enthalpy (∆H≠, energy of activation (∆Ea and Free energy(∆F≠ were calculated and were found to be 2.6186 e.u. , 20.85 e.u. ,23.46 k cal mol-1 and 20.0 k cal mol-1 respectively. © 2014 BCREC UNDIP. All rights reservedReceived: 31st July 2013; Revised: 8th November 2013; Accepted: 21st November 2013[How to Cite: Malhotra, S., Jaspal, D. (2014. Kinetics of the Enolisation Reaction of m-Nitro Acetophe-none Catalyzed by Amino Acids. Bulletin of Chemical Reaction Engineering & Catalysis, 9 (1: 16-22. (doi:10.9767/bcrec.9.1.5258.16-22][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.9.1.5258.16-22
邹立强; 刘伟; 刘军平; 刘成梅
2012-01-01
以蘑菇多酚氧化酶（PPO）为原料，研究不同浓度的柠檬酸处理对PPO相对酶活性、动力学参数（米氏常数K～最大反应速率Vmax）、褐变测量参数的影响。结果表明：随着柠檬酸浓度的增加，PPO的相对酶活性逐渐降低，当柠檬酸浓度达到70mmol／L时，PPO的相对酶活性仅为原酶活性的1％；随着底物邻苯二酚浓度的增加，柠檬酸处理的PPO反应速率逐渐提高，当邻苯二酚浓度为15mmol／L时，反应速率达到最大值。随着柠檬酸浓度的增大，PPO的Vmax基本不变，而Vmax逐渐降低，经Lineweaver．Burk作图得出0、20、40mmol／L柠檬酸处理PPO的Vmax分别为578．4、437．8、111．6U／min。表明柠檬酸是PPO与底物邻苯二酚反应的非竞争抑制剂。对褐变测量参数影响表明，随着处理的柠檬酸浓度的增大，L＋（亮度）、a＊（红值）变化较小，而西。（黄值）急剧下降，40、70mmol／L柠檬酸处理后扫。分别降为原酶活性的57．5％和13．7％；Hue、Chroma、褐变指数（BI）也明显降低；这与PPO的相对酶活性和Vmax变化一致，表明相对酶活性、Vmax与b＊、Hue、Chroma、BI有直接的相关性。%The effect of different concentrations of citric acid treatment on the relative activity, kinetic parameters （gm and Vmax） and browning parameters （Hue, Chroma and BI） of polyphenol oxidase （PPO） from mushroom. The results showed that the relative activity of PPO decreased gradually with increasing citric acid concentration and was only 1% of its original activity at 70 mmol/L. In the presence of citric acid, the reaction rate of PPO showed a gradual increase with increasing concentration of catechol, the substrate and reached its maximum level at a substrate concentration of 15 mmol/L. However, the Km remained basically unchanged despite an increase in citric acid concentration, while the Vmax gradually decreased. Lineweaver-Burk plots
Unfolding kinetics of periodic DNA hairpins.
Nostheide, Sandra; Holubec, Victor; Chvosta, Petr; Maass, Philipp
2014-05-21
DNA hairpin molecules with periodic base sequences can be expected to exhibit a regular coarse-grained free energy landscape (FEL) as a function of the number of open base pairs and applied mechanical force. Using a commonly employed model, we first analyze for which types of sequences a particularly simple landscape structure is predicted, where forward and backward energy barriers between partly unfolded states are decreasing linearly with force. Stochastic unfolding trajectories for such molecules with simple FEL are subsequently generated by kinetic Monte Carlo simulations. Introducing probabilities that can be sampled from these trajectories, it is shown how the parameters characterizing the FEL can be estimated. Already 300 trajectories, as typically generated in experiments, provide faithful results for the FEL parameters. PMID:24785383
Unfolding kinetics of periodic DNA hairpins
Nostheide, Sandra; Chvosta, Petr; Maass, Philipp
2013-01-01
DNA hairpin molecules with periodic base sequences can be expected to exhibit a regular coarse-grained free energy landscape (FEL) as function of the number of open base pairs and applied mechanical force. Using a commonly employed model, we first analyse for which types of sequences a particularly simple landscape structure is predicted, where forward and backward energy barriers between partly unfolded states are decreasing linearly with force. Stochastic unfolding trajectories for such molecules with simple FEL are subsequently generated by kinetic Monte Carlo simulations. Introducing probabilities that can be sampled from these trajectories, it is shown how the parameters characterising the FEL can be estimated. Already 300 trajectories, as typically generated in experiments, provide faithful results for the FEL parameters.
Gargano, Immacolata; Olivieri, Giuseppe; Spasiano, Danilo; Andreozzi, Roberto; Pollio, Antonino; Marotta, Raffaele; D'Ambrosio, Nicola; Marzocchella, Antonio
2015-10-20
The kinetic characterization of the photosynthetic activity in autotrophic microalgae plays a key role in the design of optimized photobioreactors. This paper presents a procedure to assess kinetic parameters of a three-state photosynthetic reaction centres model. Four kinetic parameters of the model were assessed by processing the time-series measurements of pulse-amplitude modulation fluorimetry. The kinetic parameters were assessed for several microalgal strains (Stichococcus bacillaris, Scenedesmus vacuolatus, Chlamydomonas reinhardtii, Chlorella vulgaris) growth in vertical and inclined bubble columns and irradiated by white-light or red/blue light. The procedure was successfully applied to the investigated strains. The assessed parameters allow identifying the irradiance range under which: the photochemical process is controlled by the photons capture; the photoinhibition competes with the photochemical quenching. The analysis of the time-scale of the photosynthetic reaction centres as a function of the irradiance allows interpreting the performances of photobioreactors characterized by non-homogeneous irradiance. PMID:26216180
Application of Discrete Lumped Kinetic Modeling on Vacuum Gas Oil Hydrocracking
Han Longnian; Fang Xiangchen; Peng Chong; Zhao Tao
2013-01-01
The kinetic model of vacuum gas oil (VGO) hydrocracking based on discrete lumped approach was investigated, and some improvement was put forward at the same time in this article. A parallel reaction scheme to describe the conver-sion of VGO into products (gases, gasoline, and diesel) proposed by Orochko was used. The different experimental data were analyzed statistically and then the product distribution and kinetic parameters were simulated by available data. Fur-thermore, the kinetic parameters were correlated based on the feed property, reaction temperature, and catalyst activity. An optimization code in Matlab 2011b was written to ifne-tune these parameters. The model had a favorable ability to predict the product distribution and there was a good agreement between the model predictions and experiment data. Hence, the ki-netic parameters indeed had something to do with feed properties, reaction temperature and catalyst activity.
Kinetics of niobium carbide precipitation in ferrite
The aim of this study is to develop a NbC precipitation modelling in ferrite. This theoretical study is motivated by the fact it considers a ternary system and focus on the concurrence of two different diffusion mechanisms. An experimental study with TEP, SANS and Vickers micro-hardening measurements allows a description of the NbC precipitation kinetics. The mean radius of the precipitates is characterized by TEM observations. To focus on the nucleation stage, we use the Tomographic Atom Probe that analyses, at an atomistic scale, the position of the solute atoms in the matrix. A first model based on the classical nucleation theory and the diffusion-limited growth describes the precipitation of spherical precipitates. To solve the set of equations, we use a numerical algorithm that furnishes an evaluation of the precipitated fraction, the mean radius and the whole size distribution of the particles. The parameters that are the interface energy, the solubility product and the diffusion coefficients are fitted with the data available in the literature and our experimental results. It allows a satisfactory agreement as regards to the simplicity of the model. Monte Carlo simulations are used to describe the evolution of a ternary alloy Fe-Nb-C on a cubic centred rigid lattice with vacancy and interstitial mechanisms. This is realized with an atomistic description of the atoms jumps and their related frequencies. The model parameters are fitted with phase diagrams and diffusion coefficients. For the sake of simplicity, we consider that the precipitation of NbC is totally coherent and we neglect any elastic strain effect. We can observe different kinetic paths: for low supersaturations, we find an expected precipitation of NbC but for higher supersaturations, the very fast diffusivity of carbon atoms conducts to the nucleation of iron carbide particles. We establish that the occurrence of this second phenomenon depends on the vacancy arrival kinetics and can be related
Kinetic Theory of Particles and Waves
The classical many body problem is discussed in terms of a cluster expansion. The ordering of the cluster expansion is motivated by considerations of particle discreteness or mode-coupling. In either case the expansion parameters potential energy/kinetic energy so that expansions are the same. Previously it has been demonstrated that the plasma behaves like a collection of statistically, independent quasi-particles for all calculations up to first order in the expansion parameter. We show how to generalize this approach to second and higher orders. In addition to a further renormalization of the quasi-particles, statistically independent quasi-pairs emerge. Applications are made to a thermal equilibrium . plasma, the kinetic equation for a spatially homogeneous stable plasma and finally to an unstable plasma. For a stable plasma the main feature of interest is a non-uniformity in the expansion at long wavelengths or large particle separations. This accounts for some anomalous results previously obtained. For an unstable plasma the dominant asymptotic terms lead to the theory of weak turbulence, that has previously been derived from the Vlasov equation with some random phase assumptions. Some corrections to the theory of weak turbulence from discrete particle effects are also discussed. (author)
Optimal Bayesian Experimental Design for Combustion Kinetics
Huan, Xun
2011-01-04
Experimental diagnostics play an essential role in the development and refinement of chemical kinetic models, whether for the combustion of common complex hydrocarbons or of emerging alternative fuels. Questions of experimental design—e.g., which variables or species to interrogate, at what resolution and under what conditions—are extremely important in this context, particularly when experimental resources are limited. This paper attempts to answer such questions in a rigorous and systematic way. We propose a Bayesian framework for optimal experimental design with nonlinear simulation-based models. While the framework is broadly applicable, we use it to infer rate parameters in a combustion system with detailed kinetics. The framework introduces a utility function that reflects the expected information gain from a particular experiment. Straightforward evaluation (and maximization) of this utility function requires Monte Carlo sampling, which is infeasible with computationally intensive models. Instead, we construct a polynomial surrogate for the dependence of experimental observables on model parameters and design conditions, with the help of dimension-adaptive sparse quadrature. Results demonstrate the efficiency and accuracy of the surrogate, as well as the considerable effectiveness of the experimental design framework in choosing informative experimental conditions.
Kinetics of the reversible reaction of struvite crystallisation.
Crutchik, D; Garrido, J M
2016-07-01
The crystallisation of struvite could be a sustainable and economical alternative for recovering phosphorus from wastewater streams with high phosphate concentrations. Knowledge regarding the kinetics and thermodynamics that are involved in the crystallisation of struvite is the key to determine the optimal conditions for obtaining an efficient process. This study was conducted in a continuous stirred batch reactor. Different sets of experiments were performed in which struvite was either dissolved (undersaturated) or precipitated (oversaturated). These experiments were conducted at different temperatures (25, 30 and 35 °C) and pH values (8.2, 8.5 and 8.8) to determine the kinetics of struvite precipitation and dissolution. Struvite crystallisation was modelled as a reversible reaction. The kinetic rate parameters of struvite precipitation were 1.03·10(-4), 1.25·10(-4) and 1.54·10(-4) mol m(-2) min(-1) at 25, 30 and 35 °C, respectively. Similar kinetic rate parameters were determined for struvite dissolution. Struvite heterogeneous crystallisation can be represented by a first-order kinetic model that fitted well the experimental data. PMID:27085317
Kinetics of dehydrogenation of MgH{sub 2} and AlH{sub 3}
Gabis, I., E-mail: igor.gabis@gmail.com [Physics Department of St. Petersburg State University, St. Petersburg (Russian Federation); Dobrotvorskiy, M.; Evard, E.; Voyt, A. [Physics Department of St. Petersburg State University, St. Petersburg (Russian Federation)
2011-09-15
Kinetics of dehydrogenation was studied using isothermal barometry, TDS and SEM methods. Two stages of the decomposition process are considered: incubation preceding the formation of metallic nuclei on the surface of the particle and hydrogen evolution via these metallic regions serving as facilitating channels for desorption. Duration of the first stage depends on the temperature of the sample. Relationship with material's electronic band structure is discussed. Kinetics of the second stage is controlled by two reactions: desorption of the hydrogen molecules from the surface and shift of the metal-hydride interphase in the bulk. Physical mechanisms of decomposition with detailed reaction kinetics are proposed and kinetic parameters are evaluated.
Thermoluminescence glow curve involving any extent of retrapping or any order of kinetics
Jai Prakash
2013-09-01
Adirovitch set of equations has been modified to explain the mechanisms involved in thermoluminescence (TL) glow curve. A simple model is proposed which explains the occurrence of TL glow curve involving any extent of retrapping or any order of kinetics. It has been observed that the extents of recombination and simultaneous rewrapping decide the order of kinetics involved. TL decay parameters, order of kinetics and initial concentration of trapped electrons per unit volume are evaluated easily and conveniently. It has been observed that retrapping increases with increasing order of kinetics.
Kinetic Model of Hypophosphite Oxidation on a Nickel Electrode in D2O Solution
无
2001-01-01
Kinetic model of hypophosphite oxidation on a nickel electrode was studied in D2Osolution in order to reach a better understanding of the oxidation mechanism. In the model the electrooxidation of hypophosphite undergo a H abstraction of hypophosphite from the P-H bond to form the phosphorus-centered radical PHO2-, which subsequently is electrochemically reacted with water to form the final product, phosphite. The kinetic equations were derived, and the kinetic parameters were obtained from a comparison of experimental results and the kinetic equations. The process of hypophosphite electrooxidation could be well simulated by this model
Kuzovkov, V. N.; Popov, A. I.; Kotomin, E. A.; Moskina, A. M.; Vasilchenko, E.; Lushchik, A.
2016-07-01
We analyzed carefully the experimental kinetics of the low-temperature diffusion-controlled F, H center recombination in a series of irradiated alkali halides and extracted the migration energies and pre-exponential parameters for the hole H centers. The migration energy for the complementary electronic F centers in NaCl was obtained from the colloid formation kinetics observed above room temperature. The obtained parameters were compared with data available from the literature.
Degradation kinetics of hydrolytically susceptible drugs in parenteral O/W-emulsions
Krickau, Dennis
2015-01-01
O/W emulsions as parenteral formulation vehicles have the capacity to stabilize drug substances prone to hydrolysis. When using emulsion formulations the knowledge of the physical chemical parameters governing the degradation kinetics of an active ingredient is important. Using kinetic measurements in this thesis, essential parameters were studied with respect to their influence on the hydrolysis of phenyl salicylate as model drug. The studies were designed stepwise leading from one-phase sys...
Osmotic dehydration of red cabbage in sugar beet molasses: Mass transfer kinetics
Filipčev Bojana V.; Lević Ljubinko B.; Koprivica Gordana B.; Mišljenović Nevena M.; Kuljanin Tatjana A.
2009-01-01
The paper describes a study of osmotic dehydration of red cabbage in sugar beet molasses of different concentrations (40, 60 and 80%) at 50°C and under atmospheric pressure. The best results were obtained at the sugar beet molasses of 80% as an osmotic medium. The most important kinetic parameters of the process were determined: water loss, solid uptake, weight reduction, normalized solid content and normalized moisture content. The kinetic parameters were determined after 1, 3 and 5 hours. M...
Information technologies and using of the software tools for the copper kinetic flotation modelling
Krstev, Aleksandar; Krstev, Boris; Zdravev, Zoran; Krstev, Dejan; Gocev, Zivko; Zivanovic, Jordan
2013-01-01
To improve kinetic flotation models, many first-order flotation kinetics models with distributions of flotation rate constants were redefined so that they could all be represented by the same set of three model parameters. As a result, the width of the distribution become independent of its mean, and parameters of the model and the curve fitting errors, became virtually the same, independent of the chosen distribution function. In our case, investigations of the chalcopyrite ores are carried ...
The kinetic flotation modelling of chalcopyrite from domestic ores using Software tools
Krstev, Aleksandar; Krstev, Boris; Zdravev, Zoran; Sala, Ferat; Zivanovic, Jordan; Gocev, Zivko
2013-01-01
To improve kinetic flotation models, many first-order flotation kinetics models with distributions of flotation rate constants were redefined so that they could all be represented by the same set of three model parameters. As a result, the width of the distribution become independent of its mean, and parameters of the model and the curve fitting errors, became virtually the same, independent of the chosen distribution function. In our case, investigations of the chalcopyrite ores are ...
Price, Jason Anthony; Nordblad, Mathias; Woodley, John; Huusom, Jakob Kjøbsted
2014-01-01
This paper demonstrates the added benefits of using uncertainty and sensitivity analysis in the kinetics of enzymatic biodiesel production. For this study, a kinetic model by Fedosov and co-workers is used. For the uncertainty analysis the Monte Carlo procedure was used to statistically quantify the variability in the model outputs due to uncertainties in the parameter estimates; showing the model is most reliable in the start (first 5 hours) of the reaction. To understand which input paramet...
Kinetics of the thermal degradation of Erica arborea by DSC: Hybrid kinetic method
Cancellieri, Dominique; Rossi, Jean Louis; 10.1016/j.tca.2005.07.013
2008-01-01
The scope of this work was the determination of kinetic parameters of the thermal oxidative degradation of a Mediterranean scrub using a hybrid method developed at the laboratory. DSC and TGA were used in this study under air sweeping to record oxidative reactions. Two dominating and overlapped exothermic peaks were recorded in DSC and individualized using an experimental and numerical separation. This first stage allowed obtaining the enthalpy variation of each exothermic phenomenon. In a second time, a model free method was applied on each isolated curve to determine the apparent activation energies. A reactional kinetic scheme was proposed for the global exotherm composed of two independent and consecutive reactions. In fine mean values of enthalpy variation and apparent activation energy previously determined were injected in a model fitting method to obtain the reaction order and the preexponential factor of each oxidative reaction. We plan to use these data in a sub-model to be integrated in a wildland ...
Kinetic compartmental analysis of carnitine metabolism in the dog
This study was undertaken to quantitate the dynamic parameters of carnitine metabolism in the dog. Six mongrel dogs were given intravenous injections of L-[methyl-3H]carnitine and the specific radioactivity of carnitine was followed in plasma and urine for 19-28 days. The data were analyzed by kinetic compartmental analysis. A three-compartment, open-system model [(a) extracellular fluid, (b) cardiac and skeletal muscle, (c) other tissues, particularly liver and kidney] was adopted and kinetic parameters (carnitine flux, pool sizes, kinetic constants) were derived. In four of six dogs the size of the muscle carnitine pool obtained by kinetic compartmental analysis agreed (+/- 5%) with estimates based on measurement of carnitine concentrations in different muscles. In three of six dogs carnitine excretion rates derived from kinetic compartmental analysis agreed (+/- 9%) with experimentally measured values, but in three dogs the rates by kinetic compartmental analysis were significantly higher than the corresponding rates measured directly. Appropriate chromatographic analyses revealed no radioactive metabolites in muscle or urine of any of the dogs. Turnover times for carnitine were (mean +/- SEM): 0.44 +/- 0.05 h for extracellular fluid, 232 +/- 22 h for muscle, and 7.9 +/- 1.1 h for other tissues. The estimated flux of carnitine in muscle was 210 pmol/min/g of tissue. Whole-body turnover time for carnitine was 62.9 +/- 5.6 days (mean +/- SEM). Estimated carnitine biosynthesis ranged from 2.9 to 28 mumol/kg body wt/day. Results of this study indicate that kinetic compartmental analysis may be applicable to study of human carnitine metabolism
Highlights: ► We have studied the coupling among gas, plasma and surface in the divertor region. ► A one-dimensional PIC-DSMC model has been developed. ► Profiles of density and temperature of all the species involved have been provided. ► MAR processes are effective in a region smaller than 1.5 mm from the divertor plate. ► For regions more distant, the ionization of atoms, produced by MAR, starts to occur. - Abstract: The coupled dynamics and kinetics between gas and plasma in the divertor region is studied by means of a one-dimensional Particle in Cell-Direct Simulation Monte Carlo (PIC-DSMC) model. In particular, the collision-induced vibrational excitation/relaxation of H2 molecules and particle–surface interaction (vibrational relaxation and recombinative desorption) have been considered in detail to estimate the importance of plasma volumetric recombination by molecular assisted reaction (MAR). Spatially resolved results show that MAR processes are effective very close to the divertor plate in a region smaller than 1.5 mm from the divertor plate. For regions more distant the ionization of atoms, produced by MAR, starts to make molecular assisted recombination an ineffective reaction.
Kinetics of thyroid hormones were outlined, and recent progress in metabolism of these hormones was also described. Recently, not only T4 and T3 but also rT3, 3,3'-T2, 3',5'-T2, and 3,5-T2 can be measured by RIA. To clarify metabolic pathways of these hormones, metabolic clearance rate and production rate of these hormones were calculated. As single-compartment analysis was insufficient to clarify disappearance curves of thyroid hormones in blood such as T3 and T2 of which metabolic speed was so fast, multi-compartment analysis or non-compartment analysis were also performed. Thyroid hormones seemed to be measured more precisely by constant infusion method. At the first step of T4 metabolism, T3 was formed by 5'-monodeiodination of T4, and rT3 was formed by 5-monodeiodination of T4. As metabolic pathways of T3 and rT3, conversion of them to 3,3'-T2 or to 3',5'-T2 and 3,5-T2 was supposed. This subject will be an interesting research theme in future. (Tsunoda, M.)
The Kinetics of Enzyme Mixtures
Simon Brown
2014-03-01
Full Text Available Even purified enzyme preparations are often heterogeneous. For example, preparations of aspartate aminotransferase or cytochrome oxidase can consist of several different forms of the enzyme. For this reason we consider how different the kinetics of the reactions catalysed by a mixture of forms of an enzyme must be to provide some indication of the characteristics of the species present. Based on the standard Michaelis-Menten model, we show that if the Michaelis constants (Km of two isoforms differ by a factor of at least 20 the steady-state kinetics can be used to characterise the mixture. However, even if heterogeneity is reflected in the kinetic data, the proportions of the different forms of the enzyme cannot be estimated from the kinetic data alone. Consequently, the heterogeneity of enzyme preparations is rarely reflected in measurements of their steady-state kinetics unless the species present have significantly different kinetic properties. This has two implications: (1 it is difficult, but not impossible, to detect molecular heterogeneity using kinetic data and (2 even when it is possible, a considerable quantity of high quality data is required.
Droplet Growth Kinetics in Various Environments
Raatikainen, T. E.; Lathem, T. L.; Moore, R.; Lin, J. J.; Cerully, K. M.; Padro, L.; Lance, S.; Cozic, J.; Anderson, B. E.; Nenes, A.
2012-12-01
The largest uncertainties in the effects of atmospherics aerosols on the global radiation budget are related to their indirect effects on cloud properties (IPCC, the Fourth Assessment Report of the Intergovernmental Panel on Climate Change, 2007). Cloud formation is a kinetic process where the resulting cloud properties depend on aerosol properties and meteorological parameters such as updraft velocity (e.g. McFiggans et al., Atmos. Chem. Phys., 6, 2593-2649, 2006). Droplet growth rates are limited by the water vapor diffusion, but additional kinetic limitations, e.g., due to organic surface films, slow solute dissociation or highly viscous or glassy aerosol states have been hypothesized. Significant additional kinetic limitations can lead to increased cloud droplet number concentration, thus the effect is similar to those of increased aerosol number concentration or changes in vertical velocity (e.g. Nenes et al., Geophys. Res. Lett., 29, 1848, 2002). There are a few studies where slow droplet growth has been observed (e.g. Ruehl et al., Geophys. Res. Lett., 36, L15814, 2009), however, little is currently known about their global occurrence and magnitude. Cloud micro-physics models often describe kinetic limitations by an effective water vapor uptake coefficient or similar parameter. Typically, determining aerosol water vapor uptake coefficients requires experimental observations of droplet growth which are interpreted by a numerical droplet growth model where the uptake coefficient is an adjustable parameter (e.g. Kolb et al., Atmos. Chem. Phys., 10, 10561-10605, 2010). Such methods have not been practical for high time-resolution or long term field measurements, until a model was recently developed for analyzing Droplet Measurement Technologies (DMT) cloud condensation nuclei (CCN) counter data (Raatikainen et al., Atmos. Chem. Phys., 12, 4227-4243, 2012). Model verification experiments showed that the calibration aerosol droplet size can be predicted accurately
Tang, J. Y.
2015-09-01
The Michaelis-Menten kinetics and the reverse Michaelis-Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state for the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis-Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis-Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis-Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ]T of v with respect to the total substrate concentration [ S ]T. Meanwhile, the reverse Michaelis
J. Y. Tang
2015-09-01
Full Text Available The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state for the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ]T of v with respect to the total substrate concentration [ S ]T
Radionuclide kinetics in irrigated agrophytocenosis when using waste waters
During experiments quantitative parameters of radionuclide kinetics as a result induced activity and radionuclide kinetics for natural heavy radionuclides from water used for irrigation into the vegetables crops for various kinds of irrigation depending on agrophytocenosis species have been investigated. Ways of reducing the radionuclide concentrations as far as economic and nutritive criteria are concerned using the simplest methods of treatment have been studied. It has been concluded that the highest radioactive contamination of vegetables crops takes place during sprinkling and the minimum one occurs during subsurface irrigation and gravity irrigation. 13 refs.; 3 tabs
Kinetics of Conversion of Methane with Electric Field Enhanced Plasma
王保伟; 许根慧; 孙洪伟
2004-01-01
Methane conversion was studied with electric field enhanced plasma (EFEP) technique at the atmosphere pressure and low temperature ranging from 323 K to 373 K. The conversion of methane is up to 60%--80%. The kinetics of methane conversion was studied using microreactor. The reaction model of power function type was obtained as: r = 90.99exp (-26980/RT)CA0.226(mol·m-3·s-1). The global kinetics parameters were calculated by the variable simple-pure shape method. The calculating results are in good agreement with experimental data.
Pyrolysis Kinetics of Oil-Palm Solid Waste
AZAM T. MOHD DIN; BASSIM H. HAMEED; Ahmad, Abdul Latif
2005-01-01
Pyrolysis of oil-palm shells, a cheap and abundantly available solid waste from palm oil producing process, was carried out using thermogravimetric analysis. The effect of heating rates (10,15,20 and 25°C/min) on the kinetic parameters (activation energy, frequency factor and reaction order) was investigated. The oil-palm shells were pyrolyzed in an inert atmosphere using nitrogen as a medium gas. It is observed that the kinetic behavior of the samples can be divided into three zones. The fir...
Kinetic Study on Pyrolysis of Oil Palm Frond
Soon, V. S. Y.; Chin, B. L. F.; Lim, A. C. R.
2016-03-01
The pyrolysis of oil palm frond is studied using thermogravimetric analysis (TGA) equipment. The present study investigates the thermal degradation behaviour and determination of the kinetic parameters such as the activation energy (EA ) and pre-exponential factor (A) values of oil palm frond under pyrolysis condition. The kinetic data is produced based on first order rate of reaction. In this study, the experiments are conducted at different heating rates of 10, 20, 30, 40 and 50 K/min in the temperature range of 323-1173 K under non-isothermal condition. Argon gas is used as an inert gas to remove any entrapment of gases in the TGA equipment.
Modeling Kinetics of Distortion in Porous Bi-layered Structures
Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus;
2013-01-01
because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used to...... extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...
Kinetics of water vapor diffusion in activated carbon
Kurmasheva, D. M.; Kapralov, P. O.; Travkin, V. D.; Artemov, V. G.; Tikhonov, V. I.; Volkov, A. A.
2014-05-01
We describe an experimental method for studying rapid processes of water vapor sorption by fine-dispersed and porous materials. The concentration of gas-phase water molecules is detected during adsorption by a laser-diode spectrometer. The kinetic pressure curves are recorded in a time window of 10-1 to 103 s and are analyzed using analogy of the diffusion flow with the electric current in a branched RC circuit. The proposed model establishes the relation between the kinetics curves being measured and the structural parameters of the medium.
Gas-Kinetic BGK Scheme for Three Dimensional Magnetohydrodynamics
Huazhong
2010-01-01
The gas-kinetic theory based flux splitting method has been successfully proposed for solving one- and two-dimensional ideal magnetohydrodynamics by Xu et al.[J. Comput. Phys., 1999; 2000], respectively. This paper extends the kinetic method to solve three-dimensional ideal magnetohydrodynamics equations, where an adaptive parameter η is used to control the numerical dissipation in the flux splitting method.Several numerical examples are given to demonstrate that the proposed method can achieve high numerical accuracy and resolve strong discontinuous waves in three dimensional ideal MHD problems.