WorldWideScience

Sample records for macroscopic kinetic parameters

  1. Understanding the Pulsar High Energy Emission: Macroscopic and Kinetic Models

    Science.gov (United States)

    Kalapotharakos, Constantinos; Brambilla, Gabriele; Timokhin, Andrey; Kust Harding, Alice; Kazanas, Demos

    2017-08-01

    Pulsars are extraordinary objects powered by the rotation of magnetic fields of order 10^8, 10^12G anchored onto neutron stars and rotating with periods 10^(-3)-10s. These fields mediate the conversion of their rotational energy into MHD winds and at the same time accelerate particles to energies sufficiently high to produce GeV photons. Fermi, since its launch in 2008, has established several trends among the observed gamma-ray pulsar properties playing a catalytic role in the current modeling of the high energy emission in pulsar magnetospheres. We judiciously use the guidance provided by the Fermi data to yield meaningful constraints on the macroscopic parameters of our global dissipative pulsar magnetosphere models. Our FIDO (Force-Free Inside, Dissipative Outside) models indicate that the dissipative regions lie outside the light cylinder near the equatorial current sheet. Our models reproduce the light-curve phenomenology while a detailed comparison of the model spectral properties with those observed by Fermi reveals the dependence of the macroscopic conductivity parameter on the spin-down rate providing a unique insight into the understanding of the physical mechanisms behind the high-energy emission in pulsar magnetospheres. Finally, we further exploit these important results by building self-consistent 3D global kinetic particle-in-cell (PIC) models which, eventually, provide the dependence of the macroscopic parameter behavior (e.g. conductivity) on the microphysical properties (e.g. particle multiplicities, particle injection rates). Our PIC models provide field structures and particle distributions that are not only consistent with each other but also able to reproduce a broad range of the observed gamma-ray phenomenology (light curves and spectral properties) of both young and millisecond pulsars.

  2. Mesoscopic kinetic basis of macroscopic chemical thermodynamics: A mathematical theory.

    Science.gov (United States)

    Ge, Hao; Qian, Hong

    2016-11-01

    Gibbs' macroscopic chemical thermodynamics is one of the most important theories in chemistry. Generalizing it to mesoscaled nonequilibrium systems is essential to biophysics. The nonequilibrium stochastic thermodynamics of chemical reaction kinetics suggested a free energy balance equation dF^{(meso)}/dt=E_{in}-e_{p} in which the free energy input rate E_{in} and dissipation rate e_{p} are both non-negative, and E_{in}≤e_{p}. We prove that in the macroscopic limit by merely allowing the molecular numbers to be infinite, the generalized mesoscopic free energy F^{(meso)} converges to φ^{ss}, the large deviation rate function for the stationary distributions. This generalized macroscopic free energy φ^{ss} now satisfies a balance equation dφ^{ss}(x)/dt=cmf(x)-σ(x), in which x represents chemical concentration. The chemical motive force cmf(x) and entropy production rate σ(x) are both non-negative, and cmf(x)≤σ(x). The balance equation is valid generally in isothermal driven systems and is different from mechanical energy conservation and the first law; it is actually an unknown form of the second law. Consequences of the emergent thermodynamic quantities and equalities are further discussed. The emergent "law" is independent of underlying kinetic details. Our theory provides an example showing how a macroscopic law emerges from a level below.

  3. Mesoscopic kinetic basis of macroscopic chemical thermodynamics: A mathematical theory

    Science.gov (United States)

    Ge, Hao; Qian, Hong

    2016-11-01

    Gibbs' macroscopic chemical thermodynamics is one of the most important theories in chemistry. Generalizing it to mesoscaled nonequilibrium systems is essential to biophysics. The nonequilibrium stochastic thermodynamics of chemical reaction kinetics suggested a free energy balance equation d F(meso)/d t =Ein-ep in which the free energy input rate Ein and dissipation rate ep are both non-negative, and Ein≤ep . We prove that in the macroscopic limit by merely allowing the molecular numbers to be infinite, the generalized mesoscopic free energy F(meso) converges to φss, the large deviation rate function for the stationary distributions. This generalized macroscopic free energy φss now satisfies a balance equation d φss(x ) /d t =cmf(x ) -σ (x ) , in which x represents chemical concentration. The chemical motive force cmf(x ) and entropy production rate σ (x ) are both non-negative, and cmf(x )≤σ (x ) . The balance equation is valid generally in isothermal driven systems and is different from mechanical energy conservation and the first law; it is actually an unknown form of the second law. Consequences of the emergent thermodynamic quantities and equalities are further discussed. The emergent "law" is independent of underlying kinetic details. Our theory provides an example showing how a macroscopic law emerges from a level below.

  4. Mesoscopic Kinetic Basis of Macroscopic Chemical Thermodynamics: A Mathematical Theory

    CERN Document Server

    Ge, Hao

    2016-01-01

    From a mathematical model that describes a complex chemical kinetic system of $N$ species and $M$ elementrary reactions in a rapidly stirred vessel of size $V$ as a Markov process, we show that a macroscopic chemical thermodynamics emerges as $V\\rightarrow\\infty$. The theory is applicable to linear and nonlinear reactions, closed systems reaching chemical equilibrium, or open, driven systems approaching to nonequilibrium steady states. A generalized mesoscopic free energy gives rise to a macroscopic chemical energy function $\\varphi^{ss}(\\vx)$ where $\\vx=(x_1,\\cdots,x_N)$ are the concentrations of the $N$ chemical species. The macroscopic chemical dynamics $\\vx(t)$ satisfies two emergent laws: (1) $(\\rd/\\rd t)\\varphi^{ss}[\\vx(t)]\\le 0$, and (2)$(\\rd/\\rd t)\\varphi^{ss}[\\vx(t)]=\\text{cmf}(\\vx)-\\sigma(\\vx)$ where entropy production rate $\\sigma\\ge 0$ represents the sink for the chemical energy, and chemical motive force $\\text{cmf}\\ge 0$ is non-zero if the system is driven under a sustained nonequilibrium chemos...

  5. Effect of inhibitors on macroscopical oxidation kinetics of calcium sulfite

    Institute of Scientific and Technical Information of China (English)

    ZHAO Yi; WANG Li-dong; WANG Xiao-ming; LI Qiang-wei; XU Pei-yao

    2005-01-01

    In the presence of inhibitors, the macroscopical oxidation kinetics of calcium sulfite, the main byproduct in wet limestone scrubbing, was studied for the first time by adding different inhibitors and varying pH, concentration of calcium sulfite, oxygen partial pressure, concentration of inhibitors and temperature. The mathematical model about the general oxidation reaction was established,which was controlled by three steps involving dissolution of calcium sulfite, mass transfer of oxygen and chemical reaction in the solution.It was concluded that the general reaction was controlled by mass transfer of oxygen under uncatalyzed conditions, while it was controlled by dissolution of calcium sulfite after adding three kinds of inhibitors. Thus, the theory was provided for investigating the mechanism and oxidation kinetics of sulfite. The beneficial references were also supplied for design of oxidation technics in the wet limestone scrubbing.

  6. Kinetic Modelling of Macroscopic Properties Changes during Crosslinked Polybutadiene Oxidation

    Science.gov (United States)

    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.

  7. Investigating the mechanics of earthquakes using macroscopic seismic parameters

    Science.gov (United States)

    Venkataraman, Anupama

    2002-09-01

    To understand the physics of earthquake rupture mechanics, we have to relate seismologically observable parameters to the dynamics of faulting. One of the key seismological parameters that will help us achieve this objective is the energy radiated by seismic waves. In this work, we develop a new method of estimating radiated energy from regional data using an empirical Green's function method; we also modify existing methods of estimating radiated energy from teleseismic data by improving the corrections applied to the observed seismic data for attenuation and directivity effects. We compute teleseismic estimates of radiated energy for 23 large subduction zone earthquakes recorded between 1992 and 2001; most of these earthquakes have a magnitude Mw > 7.5, but we also include some smaller (Mw ˜ 6.7) well-studied subduction zone earthquakes and 6 crustal earthquakes. We compile the static stress drop estimates for these 29 earthquakes from published literature. We then determine radiation efficiency of these earthquakes using a stress relaxation model that relates measurable and macroscopic seismological parameters to the physical processes on the fault zone via fracture energy. We also determine the rupture velocity of these earthquakes from published literature. A comparison of radiation efficiencies and rupture velocities of these earthquakes with the expected theoretical values for different modes crack propagation validates the use of the stress relaxation model to understand earthquake rupture mechanics. From our calculations, we observe that most earthquakes have radiation efficiencies between 0.25 and 1 and are hence efficient in generating seismic waves, but tsunami earthquakes and two deep earthquakes, the 1994 deep earthquake that occurred in Bolivia and the 1999 Russia-China border earthquake, have very small radiation efficiencies (<0.25) and hence dissipate a large amount of energy on the fault plane. We suggest that the difference in the radiation

  8. MACROSCOPIC KINETIC MODELS OF GLYCEROL BATCH FERMENTATION WITH OSMOTOLERANT YEAST

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    l introductionGlycerol production by fermentation has beenwidely investigated to meet the great commercialdemand in last decades and osmotolerant yeast wasthe microorganism studied most. To analyze thefermentation process more efficiently, a kinetic modelshould be established but little works about it werereported because of its complicated metabolism ofglycerol [1-3]. Batch fermentation experiment showedthat low glucose concentration in the latterfermentation stage resulted in decrease in both glucoseconsu...

  9. Role of Self-Organization of Dislocations in the Onset and Kinetics of Macroscopic Plastic Instability

    Science.gov (United States)

    Kobelev, Nikolay P.; Lebyodkin, Mikhail A.; Lebedkina, Tatiana A.

    2017-03-01

    The present paper examines two aspects of the problem of critical conditions of jerky flow in alloys, or the Portevin-Le Chatelier (PLC) effect. Recent development of dynamic strain aging (DSA) models proved their capacity to qualitatively reproduce complex non-monotonic behavior of the critical strain, providing that the parameters of theory are allowed to depend on strain. Experimental measurements of such strain dependences have been realized for the first time and used to revise the predictions of the critical strain and stress relaxation kinetics upon abrupt strain-rate changes. On the other hand, it is usually omitted from consideration that the PLC stress serrations can last very short time in comparison with the characteristic time of stress transients. The development of stress drops was studied with the aid of the acoustic emission (AE) technique. It is shown that such macroscopic instabilities are caused by clustering of AE events which otherwise occur all the time, including the periods of smooth plastic flow. The role of synchronization of dislocation avalanches in the development of abrupt stress serrations and its relationship with the predictions of the local DSA models is discussed.

  10. Elucidation of molecular kinetic schemes from macroscopic traces using system identification.

    Science.gov (United States)

    Fribourg, Miguel; Logothetis, Diomedes E; González-Maeso, Javier; Sealfon, Stuart C; Galocha-Iragüen, Belén; Las-Heras Andrés, Fernando; Brezina, Vladimir

    2017-02-01

    Overall cellular responses to biologically-relevant stimuli are mediated by networks of simpler lower-level processes. Although information about some of these processes can now be obtained by visualizing and recording events at the molecular level, this is still possible only in especially favorable cases. Therefore the development of methods to extract the dynamics and relationships between the different lower-level (microscopic) processes from the overall (macroscopic) response remains a crucial challenge in the understanding of many aspects of physiology. Here we have devised a hybrid computational-analytical method to accomplish this task, the SYStems-based MOLecular kinetic scheme Extractor (SYSMOLE). SYSMOLE utilizes system-identification input-output analysis to obtain a transfer function between the stimulus and the overall cellular response in the Laplace-transformed domain. It then derives a Markov-chain state molecular kinetic scheme uniquely associated with the transfer function by means of a classification procedure and an analytical step that imposes general biological constraints. We first tested SYSMOLE with synthetic data and evaluated its performance in terms of its rate of convergence to the correct molecular kinetic scheme and its robustness to noise. We then examined its performance on real experimental traces by analyzing macroscopic calcium-current traces elicited by membrane depolarization. SYSMOLE derived the correct, previously known molecular kinetic scheme describing the activation and inactivation of the underlying calcium channels and correctly identified the accepted mechanism of action of nifedipine, a calcium-channel blocker clinically used in patients with cardiovascular disease. Finally, we applied SYSMOLE to study the pharmacology of a new class of glutamate antipsychotic drugs and their crosstalk mechanism through a heteromeric complex of G protein-coupled receptors. Our results indicate that our methodology can be successfully

  11. Elucidation of molecular kinetic schemes from macroscopic traces using system identification

    Science.gov (United States)

    González-Maeso, Javier; Sealfon, Stuart C.; Galocha-Iragüen, Belén; Brezina, Vladimir

    2017-01-01

    Overall cellular responses to biologically-relevant stimuli are mediated by networks of simpler lower-level processes. Although information about some of these processes can now be obtained by visualizing and recording events at the molecular level, this is still possible only in especially favorable cases. Therefore the development of methods to extract the dynamics and relationships between the different lower-level (microscopic) processes from the overall (macroscopic) response remains a crucial challenge in the understanding of many aspects of physiology. Here we have devised a hybrid computational-analytical method to accomplish this task, the SYStems-based MOLecular kinetic scheme Extractor (SYSMOLE). SYSMOLE utilizes system-identification input-output analysis to obtain a transfer function between the stimulus and the overall cellular response in the Laplace-transformed domain. It then derives a Markov-chain state molecular kinetic scheme uniquely associated with the transfer function by means of a classification procedure and an analytical step that imposes general biological constraints. We first tested SYSMOLE with synthetic data and evaluated its performance in terms of its rate of convergence to the correct molecular kinetic scheme and its robustness to noise. We then examined its performance on real experimental traces by analyzing macroscopic calcium-current traces elicited by membrane depolarization. SYSMOLE derived the correct, previously known molecular kinetic scheme describing the activation and inactivation of the underlying calcium channels and correctly identified the accepted mechanism of action of nifedipine, a calcium-channel blocker clinically used in patients with cardiovascular disease. Finally, we applied SYSMOLE to study the pharmacology of a new class of glutamate antipsychotic drugs and their crosstalk mechanism through a heteromeric complex of G protein-coupled receptors. Our results indicate that our methodology can be successfully

  12. Breakdown parameter for kinetic modeling of multiscale gas flows.

    Science.gov (United States)

    Meng, Jianping; Dongari, Nishanth; Reese, Jason M; Zhang, Yonghao

    2014-06-01

    Multiscale methods built purely on the kinetic theory of gases provide information about the molecular velocity distribution function. It is therefore both important and feasible to establish new breakdown parameters for assessing the appropriateness of a fluid description at the continuum level by utilizing kinetic information rather than macroscopic flow quantities alone. We propose a new kinetic criterion to indirectly assess the errors introduced by a continuum-level description of the gas flow. The analysis, which includes numerical demonstrations, focuses on the validity of the Navier-Stokes-Fourier equations and corresponding kinetic models and reveals that the new criterion can consistently indicate the validity of continuum-level modeling in both low-speed and high-speed flows at different Knudsen numbers.

  13. Manifestation of macroscopic correlations in elementary reaction kinetics. II. Irreversible reaction A+B→C.

    Science.gov (United States)

    Kipriyanov, Alexander A; Kipriyanov, Alexey A; Doktorov, Alexander B

    2010-11-07

    The applicability of the Encounter Theory (ET) (the prototype of the Collision Theory) concepts for widely occurring diffusion assisted irreversible bulk reaction A+B→C (for example, radical reaction) in dilute solutions with arbitrary ratio of initial concentrations of reactants has been treated theoretically with modern many-particle method for the derivation of non-Markovian binary kinetic equations. The method shows that, just as in the reaction A+A→C considered earlier, the agreement with the Encounter Theory is observed when the familiar Integral Encounter Theory is used which is just a step in the derivation of kinetic equations in the framework of the method employed. It allows for two-particle correlations only, and fails to consider the correlation of reactant simultaneously with a partner and with a reactant in the bulk. However, the next step leading to the Modified Encounter Theory under reduction of equations to a regular form both extends the time applicability interval of ET homogeneous rate equation (as for reactions proceeding in excess of one of the reactants), and yields the inhomogeneous equation of the Generalized Encounter Theory (GET) that reveals macroscopic correlations induced by the encounters in a reservoir of free walks in full agreement with physical considerations. This means that the encounters of reactants in solution are correlated at rather large time interval of the reaction course. However, unlike the reaction A+A→C of identical reactants, the reaction A+B→C accumulation of the above macroscopic correlations (even with the initial concentrations of reactants being equal) proceeds much slower. Another distinction is that for the reaction A+A→C the long-term behavior of ET and GET kinetics is the same, while in the reaction A+B→C these kinetics behave differently. It is of interest that just taking account of the above macroscopic correlations in the reaction A+B→C (in GET) results in the universal character of the

  14. Manifestation of macroscopic correlations in elementary reaction kinetics. I. Irreversible reaction A +A→product

    Science.gov (United States)

    Doktorov, Alexander B.; Kipriyanov, Alexander A.; Kipriyanov, Alexey A.

    2010-05-01

    Using an modern many-particle method for the derivation of non-Markovian binary kinetic equations, we have treated theoretically the applicability of the encounter theory (ET) (the prototype of the collision theory) concepts to the widely known diffusion assisted irreversible bulk reaction A +A→product (for example, radical reaction) in dilute solutions. The method shows that the agreement with the ET is observed when the familiar integral ET is employed which in this method is just a step in the derivation of kinetic equations. It allows for two-particle correlations only, but fails to take account of correlation of reactant simultaneously with the partner of the encounter and the reactant in the bulk. However, the next step leading to the modified ET under transformation of equations to the regular form both extends the time range of the applicability of ET rate equation (as it was for reactions proceeding with one of the reactants in excess), and gives the equation of the generalized ET. In full agreement with physical considerations, this theory reveals macroscopic correlations induced by the encounters in the reservoir of free walks. This means that the encounters of reactants in solution are correlated on a rather large time interval of the reaction. Though any nonstationary (non-Markovian) effects manifest themselves rather weakly in the kinetics of the bimolecular reaction in question, just the existence of the revealed macroscopic correlations in the binary theory is of primary importance. In particular, it means that the well-known phenomena which are generally considered to be associated solely with correlation of particles on the encounter (for example, chemically induced dynamic nuclear polarization) may be induced by correlation in the reservoir of free random walks of radicals in solution.

  15. Manifestation of macroscopic correlations in elementary reaction kinetics. I. Irreversible reaction A+A-->product.

    Science.gov (United States)

    Doktorov, Alexander B; Kipriyanov, Alexander A; Kipriyanov, Alexey A

    2010-05-28

    Using an modern many-particle method for the derivation of non-Markovian binary kinetic equations, we have treated theoretically the applicability of the encounter theory (ET) (the prototype of the collision theory) concepts to the widely known diffusion assisted irreversible bulk reaction A+A-->product (for example, radical reaction) in dilute solutions. The method shows that the agreement with the ET is observed when the familiar integral ET is employed which in this method is just a step in the derivation of kinetic equations. It allows for two-particle correlations only, but fails to take account of correlation of reactant simultaneously with the partner of the encounter and the reactant in the bulk. However, the next step leading to the modified ET under transformation of equations to the regular form both extends the time range of the applicability of ET rate equation (as it was for reactions proceeding with one of the reactants in excess), and gives the equation of the generalized ET. In full agreement with physical considerations, this theory reveals macroscopic correlations induced by the encounters in the reservoir of free walks. This means that the encounters of reactants in solution are correlated on a rather large time interval of the reaction. Though any nonstationary (non-Markovian) effects manifest themselves rather weakly in the kinetics of the bimolecular reaction in question, just the existence of the revealed macroscopic correlations in the binary theory is of primary importance. In particular, it means that the well-known phenomena which are generally considered to be associated solely with correlation of particles on the encounter (for example, chemically induced dynamic nuclear polarization) may be induced by correlation in the reservoir of free random walks of radicals in solution.

  16. Reconsidering seismological constraints on the available parameter space of macroscopic dark matter

    CERN Document Server

    Cyncynates, David; Sidhu, Jagjit; Starkman, Glenn D

    2016-01-01

    Using lunar seismological data, constraints have been proposed on the available parameter space of macroscopic dark matter (macros). We show that actual limits are considerably weaker by considering in greater detail the mechanism through which macro impacts generate detectable seismic waves, which have wavelengths considerably longer than the diameter of the macro. We show that the portion of the macro parameter space that can be ruled out by current seismological evidence is considerably smaller than previously reported, and specifically that candidates with greater than or equal to nuclear density are not excluded by lunar seismology.

  17. Determination of kinetic parameters for biomass combustion.

    Science.gov (United States)

    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.

  18. Kinetic Parameters of Thermal Degradation of Polymers

    Institute of Scientific and Technical Information of China (English)

    朱新生; 程嘉祺

    2003-01-01

    The derivative expressions between activation energy (E) and the temperature at the maximum mass loss rate(Tmax) and between activation energy (E) and exponent (N) were deduced in the light of Arrhenius theory. It was found that the increase of activation energy results in the decrease of exponent and the increase of Tmax. The kinetic parameters were involved in the analysis of the thermal degradation of several polymers. The degradation kinetics of these polymers well complied with the prediction of the derivative expressions for the polymer degradation with single mechanism dominated.

  19. Kinetic Parameter Measurements in the MINERVE Reactor

    Science.gov (United States)

    Perret, Grégory; Geslot, Benoit; Gruel, Adrien; Blaise, Patrick; Di-Salvo, Jacques; De Izarra, Grégoire; Jammes, Christian; Hursin, Mathieu; Pautz, Andréas

    2017-01-01

    In the framework of an international collaboration, teams of the PSI and CEA research institutes measure the critical decay constant (α0 = β/A), delayed neutron fraction (β) and generation time (A) of the Minerve reactor using the Feynman-α, Power Spectral Density and Rossi-α neutron noise measurement techniques. These measurements contribute to the experimental database of kinetic parameters used to improve nuclear data files and validate modern methods in Monte Carlo codes. Minerve is a zero-power pool reactor composed of a central experimental test lattice surrounded by a large aluminum buffer and four high-enriched driver regions. Measurements are performed in three slightly subcritical configurations (-2 cents to -30 cents) using two high-efficiency 235U fission chambers in the driver regions. Measurement of α0 and β obtained by the two institutes and with the different techniques are consistent for the configurations envisaged. Slight increases of the β values are observed with the subcriticality level. Best estimate values are obtained with the Cross-Power Spectral Density technique at -2 cents, and are worth: β = 716.9±9.0 pcm, α0 = 79.0±0.6 s-1 and A = 90.7±1.4 μs. The kinetic parameters are predicted with MCNP5-v1.6 and TRIPOLI4.9 and the JEFF-3.1/3.1.1 and ENDF/B-VII.1 nuclear data libraries. The predictions for β and α0 overestimate the experimental results by 3-5% and 10-12%, respectively; that for A underestimate the experimental result by 6-7%. The discrepancies are suspected to come from the driven system nature of Minerve and the location of the detectors in the driver regions, which prevent accounting for the full reactor.

  20. Macroscopic dynamics of incoherent soliton ensembles: soliton-gas kinetics and direct numerical modeling

    CERN Document Server

    Carbone, Francesco; El, Gennady

    2015-01-01

    We undertake a detailed comparison of the results of direct numerical simulations of the integrable soliton gas dynamics with the analytical predictions inferred from the exact solutions of the relevant kinetic equation for solitons. We use the KdV soliton gas as a simplest analytically accessible model yielding major insight into the general properties of soliton gases in integrable systems. Two model problems are considered: (i) the propagation of a `trial' soliton through a one-component `cold' soliton gas consisting of randomly distributed solitons of approximately the same amplitude; and (ii) collision of two cold soliton gases of different amplitudes (soliton gas shock tube problem) leading to the formation of an incoherend dispersive shock wave. In both cases excellent agreement is observed between the analytical predictions of the soliton gas kinetics and the direct numerical simulations. Our results confirm relevance of the kinetic equation for solitons as a quantitatively accurate model for macrosco...

  1. Estimation of Kinetic Parameters in an Automotive SCR Catalyst Model

    DEFF Research Database (Denmark)

    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...

  2. Effect of substrate elasticity on macroscopic parameters of fish keratocyte migration.

    Science.gov (United States)

    Dziob, Daniel; Kołodziej, Tomasz; Nowak, Justyna; Cyzio, Piotr; Raczkowska, Joanna; Laska, Jadwiga; Rajfur, Zenon

    2016-10-11

    Cell migration is an important biological phenomenon which depends on a number of internal and external factors. One of such factors can be the mechanical properties of the environment which can have an impact on the cell's regulatory pathways through so-called mechanotransduction. Ultimately, these properties can also influence the process of cell migration. The goal of this work is to investigate how substrate stiffness (elasticity) changes basic migration parameters of migrating cells. Fish keratocytes migrating on polyacrylamide hydrogels have been used as a model of fast migrating cells. Cell migration have been tracked with optical microscopy, employing a time-lapse technique. Migration parameters have been determined from image analysis. This study has shown a systematic decrease of some of the key migration parameters-average cell speed and angular persistence-with a simultaneous increase of substrate elasticity. The results demonstrate that the elasticity of the substrate is the key factor in cell migration. It determines speed and angular persistence, which proves that mechanical parameters of the environment can affect cellular processes. A detailed knowledge of mechanotransduction processes can have major implications for tissue engineering and for the understanding of metastasis.

  3. Effect of substrate elasticity on macroscopic parameters of fish keratocyte migration

    Science.gov (United States)

    Dziob, Daniel; Kołodziej, Tomasz; Nowak, Justyna; Cyzio, Piotr; Raczkowska, Joanna; Laska, Jadwiga; Rajfur, Zenon

    2016-10-01

    Cell migration is an important biological phenomenon which depends on a number of internal and external factors. One of such factors can be the mechanical properties of the environment which can have an impact on the cell’s regulatory pathways through so-called mechanotransduction. Ultimately, these properties can also influence the process of cell migration. The goal of this work is to investigate how substrate stiffness (elasticity) changes basic migration parameters of migrating cells. Fish keratocytes migrating on polyacrylamide hydrogels have been used as a model of fast migrating cells. Cell migration have been tracked with optical microscopy, employing a time-lapse technique. Migration parameters have been determined from image analysis. This study has shown a systematic decrease of some of the key migration parameters—average cell speed and angular persistence—with a simultaneous increase of substrate elasticity. The results demonstrate that the elasticity of the substrate is the key factor in cell migration. It determines speed and angular persistence, which proves that mechanical parameters of the environment can affect cellular processes. A detailed knowledge of mechanotransduction processes can have major implications for tissue engineering and for the understanding of metastasis.

  4. Macroscopic, thermodynamic, kinetic and microscopic study of nitric acid pickling of Elektron 21 (EV31A magnesium alloy

    Directory of Open Access Journals (Sweden)

    Benjamin Mouls

    2014-12-01

    Full Text Available The study of pickling of the EL21T6 substrate in a nitric acid bath firstly provided knowledge of the influence of the different experimental parameters (concentration of acid, temperature and stirring of the solution in relation to the etching rate. This experimental part led to the choice of standard pickling (Tbath = 25 °C, moderate stirring (250 rpm, [HNO3] = 1.20 mol/L, duration of 2 min so as to obtain constant removal of material, even after several uses of the pickling bath. SEM observations also confirmed that in these operating conditions, pickling concerns both the grains of the matrix and the precipitates of type Mg3(Nd, Gd, leading to uniform removal of material from the surface. Working from a number of assumptions, thermodynamic and chemical kinetic studies then allowed a pickling mechanism to be proposed and led to obtaining values for the corresponding kinetic parameters (order of reaction, constant of mean rate, activation energy to be obtained.

  5. Kinetic and Thermodynamic Parameters for Uncatalyzed Esterification of Carboxylic Acid

    Directory of Open Access Journals (Sweden)

    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

  6. Identification of a set of macroscopic elastic parameters in a 3D woven composite: Uncertainty analysis and regularization

    KAUST Repository

    Gras, Renaud

    2015-03-01

    Performing a single but complex mechanical test on small structures rather than on coupons to probe multiple strain states/histories for identification purposes is nowadays possible thanks to full-field measurements. The aim is to identify many parameters thanks to the heterogeneity of mechanical fields. Such an approach is followed herein, focusing on a blade root made of 3D woven composite. The performed test, which is analyzed using global Digital Image Correlation (DIC), provides heterogeneous kinematic fields due to the particular shape of the sample. This displacement field is further processed to identify the four in-plane material parameters of the macroscopic equivalent orthotropic behavior. The key point, which may limit the ability to draw reliable conclusions, is the presence of acquisition noise in the original images that has to be tracked along the DIC/identification processing to provide uncertainties on the identified parameters. A further regularization based on a priori knowledge is finally introduced to compensate for possible lack of experimental information needed for completing the identification.

  7. Macroscopicity of quantum superpositions on a one-parameter unitary path in Hilbert space

    Science.gov (United States)

    Volkoff, T. J.; Whaley, K. B.

    2014-12-01

    We analyze quantum states formed as superpositions of an initial pure product state and its image under local unitary evolution, using two measurement-based measures of superposition size: one based on the optimal quantum binary distinguishability of the branches of the superposition and another based on the ratio of the maximal quantum Fisher information of the superposition to that of its branches, i.e., the relative metrological usefulness of the superposition. A general formula for the effective sizes of these states according to the branch-distinguishability measure is obtained and applied to superposition states of N quantum harmonic oscillators composed of Gaussian branches. Considering optimal distinguishability of pure states on a time-evolution path leads naturally to a notion of distinguishability time that generalizes the well-known orthogonalization times of Mandelstam and Tamm and Margolus and Levitin. We further show that the distinguishability time provides a compact operational expression for the superposition size measure based on the relative quantum Fisher information. By restricting the maximization procedure in the definition of this measure to an appropriate algebra of observables, we show that the superposition size of, e.g., NOON states and hierarchical cat states, can scale linearly with the number of elementary particles comprising the superposition state, implying precision scaling inversely with the total number of photons when these states are employed as probes in quantum parameter estimation of a 1-local Hamiltonian in this algebra.

  8. A new methodology for determination of macroscopic transport parameters in drying porous media

    Science.gov (United States)

    Attari Moghaddam, A.; Kharaghani, A.; Tsotsas, E.; Prat, M.

    2015-12-01

    Two main approaches have been used to model the drying process: The first approach considers the partially saturated porous medium as a continuum and partial differential equations are used to describe the mass, momentum and energy balances of the fluid phases. The continuum-scale models (CM) obtained by this approach involve constitutive laws which require effective material properties, such as the diffusivity, permeability, and thermal conductivity which are often determined by experiments. The second approach considers the material at the pore scale, where the void space is represented by a network of pores (PN). Micro- or nanofluidics models used in each pore give rise to a large system of ordinary differential equations with degrees of freedom at each node of the pore network. In this work, the moisture transport coefficient (D), the pseudo desorption isotherm inside the network and at the evaporative surface are estimated from the post-processing of the three-dimensional pore network drying simulations for fifteen realizations of the pore space geometry from a given probability distribution. A slice sampling method is used in order to extract these parameters from PN simulations. The moisture transport coefficient obtained in this way is shown in Fig. 1a. The minimum of average D values demonstrates the transition between liquid dominated moisture transport region and vapor dominated moisture transport region; a similar behavior has been observed in previous experimental findings. A function is fitted to the average D values and then is fed into the non-linear moisture diffusion equation. The saturation profiles obtained from PN and CM simulations are shown in Fig. 1b. Figure 1: (a) extracted moisture transport coefficient during drying for fifteen realizations of the pore network, (b) average moisture profiles during drying obtained from PN and CM simulations.

  9. Simultaneous Thermodynamic and Kinetic Parameters Determination Using Differential Scanning Calorimetry

    Directory of Open Access Journals (Sweden)

    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.

  10. Unscented Kalman filter with parameter identifiability analysis for the estimation of multiple parameters in kinetic models

    OpenAIRE

    Baker Syed; Poskar C; Junker Björn

    2011-01-01

    Abstract In systems biology, experimentally measured parameters are not always available, necessitating the use of computationally based parameter estimation. In order to rely on estimated parameters, it is critical to first determine which parameters can be estimated for a given model and measurement set. This is done with parameter identifiability analysis. A kinetic model of the sucrose accumulation in the sugar cane culm tissue developed by Rohwer et al. was taken as a test case model. Wh...

  11. Robust Nonlinear Regression in Enzyme Kinetic Parameters Estimation

    Directory of Open Access Journals (Sweden)

    Maja Marasović

    2017-01-01

    Full Text Available Accurate estimation of essential enzyme kinetic parameters, such as Km and Vmax, is very important in modern biology. To this date, linearization of kinetic equations is still widely established practice for determining these parameters in chemical and enzyme catalysis. Although simplicity of linear optimization is alluring, these methods have certain pitfalls due to which they more often then not result in misleading estimation of enzyme parameters. In order to obtain more accurate predictions of parameter values, the use of nonlinear least-squares fitting techniques is recommended. However, when there are outliers present in the data, these techniques become unreliable. This paper proposes the use of a robust nonlinear regression estimator based on modified Tukey’s biweight function that can provide more resilient results in the presence of outliers and/or influential observations. Real and synthetic kinetic data have been used to test our approach. Monte Carlo simulations are performed to illustrate the efficacy and the robustness of the biweight estimator in comparison with the standard linearization methods and the ordinary least-squares nonlinear regression. We then apply this method to experimental data for the tyrosinase enzyme (EC 1.14.18.1 extracted from Solanum tuberosum, Agaricus bisporus, and Pleurotus ostreatus. The results on both artificial and experimental data clearly show that the proposed robust estimator can be successfully employed to determine accurate values of Km and Vmax.

  12. Gyrokinetic and kinetic particle-in-cell simulations of guide-field reconnection. Part I: macroscopic effects of the electron flows

    CERN Document Server

    Muñoz, P A; Kilian, P; Büchner, J; Jenko, F

    2015-01-01

    In this work, we extend a comparison between gyrokinetic (GK) and fully kinetic Particle-in-Cell (PIC) simulations of magnetic reconnection in the limit of strong guide field started by TenBarge et al. [Phys. Plasmas 21, 020708 (2014)]. By using a different set of kinetic PIC and GK simulation codes (ACRONYM and GENE, respectively), we analyze the limits of applicability of the GK approach when comparing to the force free kinetic simulations in the low guide field (bg) regime. Here we report the first part of a much more extended comparison, focusing on the macroscopic effects of the electron flows. For a low beta plasma (beta_i = 0.01), it is shown that magnetic reconnection only displays similar features between both plasma models for higher kinetic PIC guide fields (bg>30) in the secondary magnetic islands than in the region close to the X points or separatrices (bg>5). Kinetic PIC low guide field runs (53) to be negligible due to the reduced reconnection rate and fluctuation level.

  13. Evaluation of true kinetic parameters for reversible immobilized enzyme reactions

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, H.; Tanaka, T.; Kurose, K.; Hikita, H.

    1987-06-01

    For a reversible one-substrate reaction system that follows the Haldane reaction mechanism, a new and effective method has been proposed to extract true or intrinsic kinetic parameters of immobilized enzymes from diffusion limited rate data. The method utilizes the effectiveness factors correlated in terms of the general modulus defined by Aris and Bischoff, and a new modulus defined in the present study. It requires a trial-and-error calculation, but only a few data points. Furthermore, it provides a saving of materials such as substrates and enzymes, and takes less time for experiments compared to the initial rate methods. The usefulness of the method is demonstrated by determining the kinetic parameters for membrane bound fumarase which catalyzes the reaction of the conversion of fumarate to L-malate, for which the equilibrium constant is circa 4. (Refs. 20).

  14. MACROSCOPIC RIVERS

    NARCIS (Netherlands)

    VANDENBERG, IP

    1991-01-01

    We present a mathematical model for the ''river-phenomenon'': striking concentrations of trajectories of ordinary differential equations. This model of ''macroscopic rivers'' is formulated within nonstandard analysis, and stated in terms of macroscopes and singular perturbations. For a subclass, the

  15. Thermoluminescent kinetics parameters of inorganic dust from camomile

    Energy Technology Data Exchange (ETDEWEB)

    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)

  16. Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

    Science.gov (United States)

    Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

    2017-01-01

    Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.

  17. Correlating thermodynamic and kinetic parameters with amorphous stability

    DEFF Research Database (Denmark)

    Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel

    2009-01-01

    Poor physical stability is one of the single most important factors limiting the widespread use of the amorphous state in pharmaceutics. The purpose of this study is to move away from the case study approach by investigating thermodynamic and kinetic parameters as potential predictors of physical...... 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...

  18. Parameter estimation for models of ligninolytic and cellulolytic enzyme kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Gangsheng [ORNL; Post, Wilfred M [ORNL; Mayes, Melanie [ORNL; Frerichs, Joshua T [ORNL; Jagadamma, Sindhu [ORNL

    2012-01-01

    While soil enzymes have been explicitly included in the soil organic carbon (SOC) decomposition models, there is a serious lack of suitable data for model parameterization. This study provides well-documented enzymatic parameters for application in enzyme-driven SOC decomposition models from a compilation and analysis of published measurements. In particular, we developed appropriate kinetic parameters for five typical ligninolytic and cellulolytic enzymes ( -glucosidase, cellobiohydrolase, endo-glucanase, peroxidase, and phenol oxidase). The kinetic parameters included the maximum specific enzyme activity (Vmax) and half-saturation constant (Km) in the Michaelis-Menten equation. The activation energy (Ea) and the pH optimum and sensitivity (pHopt and pHsen) were also analyzed. pHsen was estimated by fitting an exponential-quadratic function. The Vmax values, often presented in different units under various measurement conditions, were converted into the same units at a reference temperature (20 C) and pHopt. Major conclusions are: (i) Both Vmax and Km were log-normal distributed, with no significant difference in Vmax exhibited between enzymes originating from bacteria or fungi. (ii) No significant difference in Vmax was found between cellulases and ligninases; however, there was significant difference in Km between them. (iii) Ligninases had higher Ea values and lower pHopt than cellulases; average ratio of pHsen to pHopt ranged 0.3 0.4 for the five enzymes, which means that an increase or decrease of 1.1 1.7 pH units from pHopt would reduce Vmax by 50%. (iv) Our analysis indicated that the Vmax values from lab measurements with purified enzymes were 1 2 orders of magnitude higher than those for use in SOC decomposition models under field conditions.

  19. The virial theorem and the kinetic energy of particles of a macroscopic system in the general field concept

    Science.gov (United States)

    Fedosin, Sergey G.

    2017-03-01

    The virial theorem is considered for a system of randomly moving particles that are tightly bound to each other by the gravitational and electromagnetic fields, acceleration field and pressure field. The kinetic energy of the particles of this system is estimated by three methods, and the ratio of the kinetic energy to the absolute value of the energy of forces, binding the particles, is determined, which is approximately equal to 0.6. For simple systems in classical mechanics, this ratio equals 0.5. The difference between these ratios arises by the consideration of the pressure field and acceleration field inside the bodies, which make additional contribution to the acceleration of the particles. It is found that the total time derivative of the system's virial is not equal to zero, as is assumed in classical mechanics for systems with potential fields. This is due to the fact that although the partial time derivative of the virial for stationary systems tends to zero, but in real bodies the virial also depends on the coordinates and the convective derivative of the virial, as part of the total time derivative inside the body, is not equal to zero. It is shown that the convective derivative is also necessary for correct description of the equations of motion of particles.

  20. The kinetic parameters of carbonaceous materials activated with potassium hydroxide

    Energy Technology Data Exchange (ETDEWEB)

    Yong, Z.; Han, B.X.

    2000-07-01

    On the basis of microspore formation in carbonaceous materials, the activation energy for the potassium hydroxide activation of Chinese petroleum coke and coal has been deduced theoretically as dB(O)/dt = A exp(-E(a)) is an element of/RT), where is an element of is the formation energy for the metastable solid formed at the activation temperature. The kinetic parameters (frequency factor, A, and apparent activation energy, E(a) were calculated from this equation as being 5.319 mg/(g min), 36.51 kJ/mol and 6.64 mg/(g min), 49.46 kJ/mol, respectively, for the two carbonaceous materials studied.

  1. Macroscopic kinetics of pentameric ligand gated ion channels: comparisons between two prokaryotic channels and one eukaryotic channel.

    Science.gov (United States)

    Laha, Kurt T; Ghosh, Borna; Czajkowski, Cynthia

    2013-01-01

    Electrochemical signaling in the brain depends on pentameric ligand-gated ion channels (pLGICs). Recently, crystal structures of prokaryotic pLGIC homologues from Erwinia chrysanthemi (ELIC) and Gloeobacter violaceus (GLIC) in presumed closed and open channel states have been solved, which provide insight into the structural mechanisms underlying channel activation. Although structural studies involving both ELIC and GLIC have become numerous, thorough functional characterizations of these channels are still needed to establish a reliable foundation for comparing kinetic properties. Here, we examined the kinetics of ELIC and GLIC current activation, desensitization, and deactivation and compared them to the GABAA receptor, a prototypic eukaryotic pLGIC. Outside-out patch-clamp recordings were performed with HEK-293T cells expressing ELIC, GLIC, or α1β2γ2L GABAA receptors, and ultra-fast ligand application was used. In response to saturating agonist concentrations, we found both ELIC and GLIC current activation were two to three orders of magnitude slower than GABAA receptor current activation. The prokaryotic channels also had slower current desensitization on a timescale of seconds. ELIC and GLIC current deactivation following 25 s pulses of agonist (cysteamine and pH 4.0 buffer, respectively) were relatively fast with time constants of 24.9 ± 5.1 ms and 1.2 ± 0.2 ms, respectively. Surprisingly, ELIC currents evoked by GABA activated very slowly with a time constant of 1.3 ± 0.3 s and deactivated even slower with a time constant of 4.6 ± 1.2 s. We conclude that the prokaryotic pLGICs undergo similar agonist-mediated gating transitions to open and desensitized states as eukaryotic pLGICs, supporting their use as experimental models. Their uncharacteristic slow activation, slow desensitization and rapid deactivation time courses are likely due to differences in specific structural elements, whose future identification may help uncover mechanisms underlying p

  2. Macroscopic kinetics of pentameric ligand gated ion channels: comparisons between two prokaryotic channels and one eukaryotic channel.

    Directory of Open Access Journals (Sweden)

    Kurt T Laha

    Full Text Available Electrochemical signaling in the brain depends on pentameric ligand-gated ion channels (pLGICs. Recently, crystal structures of prokaryotic pLGIC homologues from Erwinia chrysanthemi (ELIC and Gloeobacter violaceus (GLIC in presumed closed and open channel states have been solved, which provide insight into the structural mechanisms underlying channel activation. Although structural studies involving both ELIC and GLIC have become numerous, thorough functional characterizations of these channels are still needed to establish a reliable foundation for comparing kinetic properties. Here, we examined the kinetics of ELIC and GLIC current activation, desensitization, and deactivation and compared them to the GABAA receptor, a prototypic eukaryotic pLGIC. Outside-out patch-clamp recordings were performed with HEK-293T cells expressing ELIC, GLIC, or α1β2γ2L GABAA receptors, and ultra-fast ligand application was used. In response to saturating agonist concentrations, we found both ELIC and GLIC current activation were two to three orders of magnitude slower than GABAA receptor current activation. The prokaryotic channels also had slower current desensitization on a timescale of seconds. ELIC and GLIC current deactivation following 25 s pulses of agonist (cysteamine and pH 4.0 buffer, respectively were relatively fast with time constants of 24.9 ± 5.1 ms and 1.2 ± 0.2 ms, respectively. Surprisingly, ELIC currents evoked by GABA activated very slowly with a time constant of 1.3 ± 0.3 s and deactivated even slower with a time constant of 4.6 ± 1.2 s. We conclude that the prokaryotic pLGICs undergo similar agonist-mediated gating transitions to open and desensitized states as eukaryotic pLGICs, supporting their use as experimental models. Their uncharacteristic slow activation, slow desensitization and rapid deactivation time courses are likely due to differences in specific structural elements, whose future identification may help uncover

  3. A robust methodology for kinetic model parameter estimation for biocatalytic reactions

    DEFF Research Database (Denmark)

    Al-Haque, Naweed; Andrade Santacoloma, Paloma de Gracia; Lima Afonso Neto, Watson;

    2012-01-01

    Effective estimation of parameters in biocatalytic reaction kinetic expressions are very important when building process models to enable evaluation of process technology options and alternative biocatalysts. The kinetic models used to describe enzyme-catalyzed reactions generally include several...

  4. Unscented Kalman filter with parameter identifiability analysis for the estimation of multiple parameters in kinetic models

    Directory of Open Access Journals (Sweden)

    Baker Syed

    2011-01-01

    Full Text Available Abstract In systems biology, experimentally measured parameters are not always available, necessitating the use of computationally based parameter estimation. In order to rely on estimated parameters, it is critical to first determine which parameters can be estimated for a given model and measurement set. This is done with parameter identifiability analysis. A kinetic model of the sucrose accumulation in the sugar cane culm tissue developed by Rohwer et al. was taken as a test case model. What differentiates this approach is the integration of an orthogonal-based local identifiability method into the unscented Kalman filter (UKF, rather than using the more common observability-based method which has inherent limitations. It also introduces a variable step size based on the system uncertainty of the UKF during the sensitivity calculation. This method identified 10 out of 12 parameters as identifiable. These ten parameters were estimated using the UKF, which was run 97 times. Throughout the repetitions the UKF proved to be more consistent than the estimation algorithms used for comparison.

  5. Unscented Kalman filter with parameter identifiability analysis for the estimation of multiple parameters in kinetic models.

    Science.gov (United States)

    Baker, Syed Murtuza; Poskar, C Hart; Junker, Björn H

    2011-10-11

    In systems biology, experimentally measured parameters are not always available, necessitating the use of computationally based parameter estimation. In order to rely on estimated parameters, it is critical to first determine which parameters can be estimated for a given model and measurement set. This is done with parameter identifiability analysis. A kinetic model of the sucrose accumulation in the sugar cane culm tissue developed by Rohwer et al. was taken as a test case model. What differentiates this approach is the integration of an orthogonal-based local identifiability method into the unscented Kalman filter (UKF), rather than using the more common observability-based method which has inherent limitations. It also introduces a variable step size based on the system uncertainty of the UKF during the sensitivity calculation. This method identified 10 out of 12 parameters as identifiable. These ten parameters were estimated using the UKF, which was run 97 times. Throughout the repetitions the UKF proved to be more consistent than the estimation algorithms used for comparison.

  6. Electrochemical evaluation of glutathione S-transferase kinetic parameters.

    Science.gov (United States)

    Enache, Teodor Adrian; Oliveira-Brett, Ana Maria

    2015-02-01

    Glutathione S-transferases (GSTs), are a family of enzymes belonging to the phase II metabolism that catalyse the formation of thioether conjugates between the endogenous tripeptide glutathione and xenobiotic compounds. The voltammetric behaviour of glutathione (GSH), 1-chloro-2,4-dinitrobenzene (CDNB) and glutathione S-transferase (GST), as well as the catalytic conjugation reaction of GSH to CDNB by GST was investigated at room temperature, T=298.15K (25°C), at pH6.5, for low concentration of substrates and enzyme, using differential pulse (DP) voltammetry at a glassy carbon electrode. Only GSH can be oxidized; a sensitivity of 0.14nA/μM and a LOD of 6.4μM were obtained. The GST kinetic parameter electrochemical evaluation, in relation to its substrates, GSH and CDNB, using reciprocal Michaelis-Menten and Lineweaver-Burk double reciprocal plots, was determined. A value of KM~100μM was obtained for either GSH or CDNB, and Vmax varied between 40 and 60μmol/min per mg of GST.

  7. A comparison of region-based and pixel-based CEUS kinetics parameters in the assessment of arthritis

    Science.gov (United States)

    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.

  8. Association of macroscopic laboratory testing and micromechanics modelling for the evaluation of the poroelastic parameters of a hardened cement paste

    CERN Document Server

    Ghabezloo, Siavash

    2010-01-01

    The results of a macro-scale experimental study performed on a hardened class G cement paste [Ghabezloo et al. (2008) Cem. Con. Res. (38) 1424-1437] are used in association with the micromechanics modelling and homogenization technique for evaluation of the complete set of poroelastic parameters of the material. The experimental study consisted in drained, undrained and unjacketed isotropic compression tests. Analysis of the experimental results revealed that the active porosity of the studied cement paste is smaller than its total porosity. A multi-scale homogenization model, calibrated on the experimental results, is used to extrapolate the poroelastic parameters to cement pastes prepared with different water-to-cement ratio. The notion of cement paste active porosity is discussed and the poroelastic parameters of hardened cement paste for an ideal, perfectly drained condition are evaluated using the homogenization model.

  9. Downstream plasma parameters in laminar shocks from ion kinetics

    Science.gov (United States)

    Gedalin, M.

    2016-10-01

    Ion dynamics in oblique shocks is governed by the macroscopic electric and magnetic fields of the shock front. In laminar shocks, these fields are time-independent and depend only on the coordinate along the shock normal. The shock ramp is narrow and the ion motion across the shock is manifestly non-adiabatic. The ion distribution just behind the ramp is significantly non-gyrotropic. Gyrotropy is achieved well behind the ramp mainly due to the gyrophase mixing. The asymptotic values of the ion density and temperature are determined by the eventual collisionless relaxation of the gyrating ion distribution. Given a distribution at the downstream edge of the ramp, the moments of the distribution after gyrophase mixing are derived using proper spatial averaging. The obtained expressions can be used for independent determination of the downstream plasma state and implementation in Rankine-Hugoniot relations.

  10. Real time measurement of plasma macroscopic parameters on RFX-mod using a limited set of sensors

    Science.gov (United States)

    Kudlacek, Ondrej; Zanca, Paolo; Finotti, Claudio; Marchiori, Giuseppe; Cavazzana, Roberto; Marrelli, Lionello

    2015-10-01

    A method to estimate the plasma boundary and global parameters such as βp+li/2 and the edge safety factor q95 is described. The method is based on poloidal flux extrapolation in the vacuum region between the plasma and the magnetic measurements, and it is efficient and accurate even if a limited set of sensors is used. The discrepancy between the plasma boundary provided by this method and the boundary computed by the Grad-Shafranov solver MAXFEA is lower than 8 mm in all the considered cases. Moreover, the method is robust against the noise level present in the RFX-mod measurements. The difference between the estimated global parameters and the MAXFEA simulation results is lower than 4%. The method was finally implemented in the RFX-mod shape control system, working at 5 kHz cycle frequency, to provide a reliable set of plasma-wall distances (gaps) used as feedback signals. Experimental results obtained in one year of RFX-mod operation are shown.

  11. Comparison of Seven Kinetic Equations for K Release and Application of Kinetic Parameters

    Institute of Scientific and Technical Information of China (English)

    L(U) Xiao-Nan; XU Jian-Ming; MA Wan-Zhu; LU Yun-Fu

    2007-01-01

    Corn field experiments with two treatments, NP and NPK, where N in the form of urea, P in the form of calcium phosphate, and K in the form of KC1 were applied at rates of 187.5, 33.3, and 125 kg ha-1, respectively, on soils derived from Quaternary red clay were conducted in the hilly red soil region of Zhejiang Province, China. Plant grains and stalks were collected for determination of K content. Seven equations were used to describe the kinetics of K release from surface soil samples taken before the corn experiments under electric field strengths of 44.4 and 88.8 V cm-1 by means of electro-ultrafiltration (EUF) and to determine if their parameters had a practical application. The second-order and Elovich equations excellently described K release; the first-order, power function, and parabolic diffusion equations also described K release well; but the zero-order and exponential equations were not so good at reflecting K release. Five reference standards from the field experiments, including relative grain yield (yield of the NP treatment/yield of the NPK treatment), relative dry matter yield (dry matter of the NP treatment/dry matter of the NPK treatment), quantity of K uptake in the NP treatment (no K application), soil exchangeable K, and soil HNO3-soluble K, were used to test the effectiveness of equation parameters obtained from the slope or intercept of these equations. Correlations of the ymax (the maximum desorbable quantity of K) in the second-order equation and the constant b in the first-order and E lovich equations to all five reference standards were highly significant (P ≤ 0.01). The constant a in the power function equation was highly significant (P ≤ 0.01) for four of the five reference standards with the fifth being significant (P ≤ 0.05). The constant b in the parabolic equation was also significantly correlated (P ≤ 0.05) to the relative grain yield and soil HNO3-solublc K. These suggested that all of these parameters could be used to

  12. Determination of kinetic parameters for complex transesterification reaction by standard optimisation methods

    Directory of Open Access Journals (Sweden)

    Almagrbi Abdualnaser Muftah

    2014-01-01

    Full Text Available This article presents a methodology for kinetic parameter estimation which is based on standard optimization methods. The parameter estimation procedure is applied to the example of modelling of non-catalytic transesterification reaction, based on laboratory experiments performed under elevated pressure. The kinetic model employed in this study consists of three consecutive and parallel reversible reactions of the second order, with six kinetic constants. The influence of the mass transfer effects was considered as well. The best results were obtained by Genetic Algorithm method. The application of this method resulted in kinetic parameters with improved accuracy in predicting concentrations of important reaction intermediates, i.e. diglycerides and monoglycerides. Activation energies of kinetic parameters obtained by the Genetic Algorithm method are in very good agreement with theoretical values determined by molecular orbital calculations. [Projekat Ministarstva nauke Republike Srbije, br. III-45019

  13. Non-linear relationship between combustion kinetic parameters and coal quality

    Institute of Scientific and Technical Information of China (English)

    Jian-guo YANG; Xiao-long ZHANG; Hong ZHAO; Li SHEN

    2012-01-01

    Combustion kinetic parameters (i.e.,activation energy and frequency factor) of coal have been proven to relate closely to coal properties; however,the quantitative relationship between them still requires further study.This paper adopts a support vector regression machine (SVR) to generate the models of the non-linear relationship between combustion kinetic parameters and coal quality.Kinetic analyses on the thermo-gravimetry (TG) data of 80 coal samples were performed to prepare training data and testing data for the SVR.The models developed were used in the estimation of the combustion kinetic parameters of ten testing samples.The predicted results showed that the root mean square errors (RMSEs) were 2.571 for the activation energy and 0.565for the frequency factor in logarithmic form,respectively.TG curves defined by predicted kinetic parameters were fitted to the experimental data with a high degree of precision.

  14. Determination of Kinetic Parameters of Molecular Beam Epitaxy,

    Science.gov (United States)

    1985-04-17

    A kinetic growth model for molecular beam epitaxy (MBE) was discussed. Furthermore, high energy electron diffraction (HEED) was used as a surface...characterization method to provide evidence for this model. GaAs was used as an example to study the growth rate of molecular beam epitaxy . The relation

  15. Development of simple kinetic models and parameter estimation for ...

    African Journals Online (AJOL)

    PANCHIGA

    Key words: Exponential feed, growth modeling, Monod kinetic equation, Pichia pastoris, recombinant human ... Author(s) agree that this article remains permanently open access under the terms of the Creative Commons .... Methanol was the only energy and carbon source ..... A potential explanation for the decline in cell.

  16. Mechanism and Kinetic Parameters of Thermal Decomposition of Cobalt Dichloride Hexahydrate

    Institute of Scientific and Technical Information of China (English)

    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.

  17. Estimation of Kinetic Parameters for Autocatalytic Oxidation of Cyclohexane Based on a Modified Adaptive Genetic Algorithm

    Institute of Scientific and Technical Information of China (English)

    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.

  18. Effect of kinetic parameters on heterologous protein production: a sysbio approach

    DEFF Research Database (Denmark)

    Nandy, Subir Kumar; Rattleff, Stig; Thykær, Jette

    To improve the expression and secretion of heterologous proteins in the filamentous grampositive bacteria, Streptomyces lividans, bioprocessing strategies were developed. A mathematical model was constructed to study the effects of the process kinetic parameters on the production of the model...

  19. Parameter Optimization of Nitriding Process Using Chemical Kinetics

    Science.gov (United States)

    Özdemir, İ. Bedii; Akar, Firat; Lippmann, Nils

    2016-09-01

    Using the dynamics of chemical kinetics, an investigation to search for an optimum condition for a gas nitriding process is performed over the solution space spanned by the initial temperature and gas composition of the furnace. For a two-component furnace atmosphere, the results are presented in temporal variations of gas concentrations and the nitrogen coverage on the surface. It seems that the exploitation of the nitriding kinetics can provide important feedback for setting the model-based control algorithms. The present work shows that when the nitrogen gas concentration is not allowed to exceed 6 pct, the Nad coverage can attain maximum values as high as 0.97. The time evolution of the Nad coverage also reveals that, as long as the temperature is above the value where nitrogen poisoning of the surface due to the low-temperature adsorption of excess nitrogen occurs, the initial ammonia content in the furnace atmosphere is much more important in the nitriding process than is the initial temperature.

  20. Estimation of kinetic parameters related to biochemical interactions between hydrogen peroxide and signal transduction proteins

    Directory of Open Access Journals (Sweden)

    Paula Matos de Brito

    2014-10-01

    Full Text Available The lack of kinetic data concerning the biological effects of reactive oxygen species is slowing down the development of the field of redox signaling. Herein, we deduced and applied equations to estimate kinetic parameters from typical redox signaling experiments. H2O2-sensing mediated by the oxidation of a protein target and the switch-off of this sensor, by being converted back to its reduced form, are the two processes for which kinetic parameters are determined. The experimental data required to apply the equations deduced is the fraction of the H2O2 sensor protein in the reduced or in the oxidized state measured in intact cells or living tissues after exposure to either endogenous or added H2O2. Either non-linear fittings that do not need transformation of the experimental data or linearized plots in which deviations from the equations are easily observed can be used. The equations were shown to be valid by fitting to them virtual time courses simulated with a kinetic model. The good agreement between the kinetic parameters estimated in these fittings and those used to simulate the virtual time courses supported the accuracy of the kinetic equations deduced. Finally, equations were successfully tested with real data taken from published experiments that describe redox signaling mediated by the oxidation of two protein tyrosine phosphatases, PTP1B and SHP-2, which are two of the few H2O2-sensing proteins with known kinetic parameters. Whereas for PTP1B estimated kinetic parameters fitted in general the present knowledge, for SHP-2 results obtained suggest that reactivity towards H2O2 as well as the rate of SHP-2 regeneration back to its reduced form are higher than previously thought. In conclusion, valuable quantitative kinetic data can be estimated from typical redox signaling experiments, thus improving our understanding about the complex processes that underline the interplay between oxidative stress and redox signaling responses.

  1. Estimation of kinetic parameters related to biochemical interactions between hydrogen peroxide and signal transduction proteins

    Science.gov (United States)

    Brito, Paula; Antunes, Fernando

    2014-10-01

    The lack of kinetic data concerning the biological effects of reactive oxygen species is slowing down the development of the field of redox signaling. Herein, we deduced and applied equations to estimate kinetic parameters from typical redox signaling experiments. H2O2-sensing mediated by the oxidation of a protein target and the switch-off of this sensor, by being converted back to its reduced form, are the two processes for which kinetic parameters are determined. The experimental data required to apply the equations deduced is the fraction of the H2O2 sensor protein in the reduced or in the oxidized state measured in intact cells or living tissues after exposure to either endogenous or added H2O2. Either non-linear fittings that do not need transformation of the experimental data or linearized plots in which deviations from the equations are easily observed can be used. The equations were shown to be valid by fitting to them virtual time courses simulated with a kinetic model. The good agreement between the kinetic parameters estimated in these fittings and those used to simulate the virtual time courses supported the accuracy of the kinetic equations deduced. Finally, equations were successfully tested with real data taken from published experiments that describe redox signaling mediated by the oxidation of two protein tyrosine phosphatases, PTP1B and SHP-2, which are two of the few H2O2-sensing proteins with known kinetic parameters. Whereas for PTP1B estimated kinetic parameters fitted in general the present knowledge, for SHP-2 results obtained suggest that reactivity towards H2O2 as well as the rate of SHP-2 regeneration back to its reduced form are higher than previously thought. In conclusion, valuable quantitative kinetic data can be estimated from typical redox signaling experiments, thus improving our understanding about the complex processes that underline the interplay between oxidative stress and redox signaling responses.

  2. Calculation of statistic estimates of kinetic parameters from substrate uncompetitive inhibition equation using the median method

    Directory of Open Access Journals (Sweden)

    Pedro L. Valencia

    2017-04-01

    Full Text Available We provide initial rate data from enzymatic reaction experiments and tis processing to estimate the kinetic parameters from the substrate uncompetitive inhibition equation using the median method published by Eisenthal and Cornish-Bowden (Cornish-Bowden and Eisenthal, 1974; Eisenthal and Cornish-Bowden, 1974. The method was denominated the direct linear plot and consists in the calculation of the median from a dataset of kinetic parameters Vmax and Km from the Michaelis–Menten equation. In this opportunity we present the procedure to applicate the direct linear plot to the substrate uncompetitive inhibition equation; a three-parameter equation. The median method is characterized for its robustness and its insensibility to outlier. The calculations are presented in an Excel datasheet and a computational algorithm was developed in the free software Python. The kinetic parameters of the substrate uncompetitive inhibition equation Vmax, Km and Ks were calculated using three experimental points from the dataset formed by 13 experimental points. All the 286 combinations were calculated. The dataset of kinetic parameters resulting from this combinatorial was used to calculate the median which corresponds to the statistic estimator of the real kinetic parameters. A comparative statistical analyses between the median method and the least squares was published in Valencia et al. [3].

  3. Calculation of statistic estimates of kinetic parameters from substrate uncompetitive inhibition equation using the median method.

    Science.gov (United States)

    Valencia, Pedro L; Astudillo-Castro, Carolina; Gajardo, Diego; Flores, Sebastián

    2017-04-01

    We provide initial rate data from enzymatic reaction experiments and tis processing to estimate the kinetic parameters from the substrate uncompetitive inhibition equation using the median method published by Eisenthal and Cornish-Bowden (Cornish-Bowden and Eisenthal, 1974; Eisenthal and Cornish-Bowden, 1974). The method was denominated the direct linear plot and consists in the calculation of the median from a dataset of kinetic parameters Vmax and Km from the Michaelis-Menten equation. In this opportunity we present the procedure to applicate the direct linear plot to the substrate uncompetitive inhibition equation; a three-parameter equation. The median method is characterized for its robustness and its insensibility to outlier. The calculations are presented in an Excel datasheet and a computational algorithm was developed in the free software Python. The kinetic parameters of the substrate uncompetitive inhibition equation Vmax , Km and Ks were calculated using three experimental points from the dataset formed by 13 experimental points. All the 286 combinations were calculated. The dataset of kinetic parameters resulting from this combinatorial was used to calculate the median which corresponds to the statistic estimator of the real kinetic parameters. A comparative statistical analyses between the median method and the least squares was published in Valencia et al. [3].

  4. Comparison Of A Neutron Kinetics Parameter For A Polyethylene Moderated Highly Enriched Uranium System

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, IV, George Espy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Goda, Joetta Marie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Grove, Travis Justin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sanchez, Rene Gerardo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-04-17

    This paper examines the comparison of MCNP® code’s capability to calculate kinetics parameters effectively for a thermal system containing highly enriched uranium (HEU). The Rossi-α parameter was chosen for this examination because it is relatively easy to measure as well as easy to calculate using MCNP®’s kopts card. The Rossi-α also incorporates many other parameters of interest in nuclear kinetics most of which are more difficult to precisely measure. The comparison looks at two different nuclear data libraries for comparison to the experimental data. These libraries are ENDF/BVI (.66c) and ENDF/BVII (.80c).

  5. Kinetics of nitrite reduction by zinc metal: influence of metal shape on the determination of kinetic parameters.

    Science.gov (United States)

    Limousy, L; Dutournie, P; Hadjiev, D

    2010-07-01

    Heterogeneous chemical reactions are complicated, especially in the case of competitive reactions. The aim of this study was to investigate the elimination of nitrite (NO2(-)) by applying a metallic reduction using zero-valent zinc (Zn0). The effect of pH, stirring, and metal shape (powder and chips) on the rate and products of nitrite reduction were studied in a batch-stirred reactor. The obtained data have been used to optimize the conditions for metallic reduction of NO2(-) and for kinetic parameters identification. It was found that the dissolution of zinc involves a pseudo-first-order reaction independent of the shape of the metal. Further, the influence of operating conditions on nitrogen (N2) and ammonium (NH4(+)) formation has been determined. It was found that a decrease in pH and in the Zn0 content enhances NH4(+) production. If kinetic parameters can be approximated easily for constant surface area, it was demonstrated that surface evolution had to be integrated for metal powder. Finally, a numerical simulation has been used to determine the kinetic parameters for NO2(-) reduction with zinc powder.

  6. Kinetic parameters calculation and measurements during the OPAL commissioning

    Energy Technology Data Exchange (ETDEWEB)

    Hergenreder, D.F.; Lecot, C.A.; Villarino, E.A. [INVAP S.E., Nuclear Projects Dept., Nuclear Engineering Div., Rio Negro (Argentina)

    2007-07-01

    During the Commissioning Stage of the OPAL Research Reactor (Australia) the Prompt Neutron Decay constant ({alpha}) was measured by analysing the inherent fluctuations that occur in the neutron population. The ratio of the variance to the mean number of counts as a function of counting time is used to determine experimentally the {alpha} parameter. This technique is also called Feynman-{alpha} Method. The CITVAP and MCNP codes were used to calculate the prompt neutron decay constant for the first core configuration. By means of two different MCNP calculations, one considering prompt fission neutrons only and another with total fission neutrons; the effective delayed neutron fraction is estimated. The experimental method, the measured value as well as the numerical assessment are presented in this paper. A good agreement was obtained between measurements and calculations, particularly it is worth noticing that the measured value for the {alpha} parameter, when {rho} = 0, is 38.1 s{sup -1} while the calculated value is 37.2 s{sup -1}.

  7. Inverse modeling approach for evaluation of kinetic parameters of a biofilm reactor using tabu search.

    Science.gov (United States)

    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.

  8. Reaction Kinetic Parameters and Surface Thermodynamic Properties of Cu2O Nanocubes

    Directory of Open Access Journals (Sweden)

    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.

  9. Fuzzy Stochastic Petri Nets for Modeling Biological Systems with Uncertain Kinetic Parameters.

    Science.gov (United States)

    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.

  10. EQUILIBRIUM AND KINETIC PARAMETERS FOR THE SEDIMENTATION OF TARTARIC SALTS IN YOUNG WINES

    Directory of Open Access Journals (Sweden)

    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.

  11. A novel method for measuring the concentration of chloroform based on kinetic parameters at atmosphere

    Science.gov (United States)

    Wang, Yuguo; Han, Haiyan; Chang, Tao; Liu, Xiuhong; Zhu, Qiaofen; Liu, Feng; Yan, Yongliang; Shen, Chengyin; Chu, Yannan

    2016-06-01

    A novel method is proposed to detect chloroform concentrations based on the kinetic parameters using ion mobility spectrometer with a negative corona discharge ion source operating at atmospheric pressure. Unlike conventional sample introduction mode, in this technique, CHCl3 enters into the drift tube from the end of drift region carried by the drift gas. There are two tails before Cl- and (CHCl3)·Cl- ion peaks, which fit to the ions formed in the drift region. Utilizing the kinetic parameters, concentration for CHCl3 can be calculated. This method not only offers a new way to get concentrations of CHCl3 under atmospheric pressure.

  12. Kinetics parameters of a slurry remediation process in rotating drum bioreactors

    Energy Technology Data Exchange (ETDEWEB)

    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)

  13. Application of micro-genetic algorithm for calibration of kinetic parameters in HCCI engine combustion model

    Institute of Scientific and Technical Information of China (English)

    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.

  14. Evaluation of Anaerobic Biofilm Reactor Kinetic Parameters Using Ant Colony Optimization.

    Science.gov (United States)

    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.

  15. Kinetic derivation of a Hamilton-Jacobi traffic flow model

    CERN Document Server

    Borsche, Raul; Kimathi, Mark

    2012-01-01

    Kinetic models for vehicular traffic are reviewed and considered from the point of view of deriving macroscopic equations. A derivation of the associated macroscopic traffic flow equations leads to different types of equations: in certain situations modified Aw-Rascle equations are obtained. On the other hand, for several choices of kinetic parameters new Hamilton-Jacobi type traffic equations are found. Associated microscopic models are discussed and numerical experiments are presented discussing several situations for highway traffic and comparing the different models.

  16. MCNP5 study on kinetics parameters of coupled fast-thermal system HERBE

    Directory of Open Access Journals (Sweden)

    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.

  17. Kinetic exchange opinion model: solution in the single parameter map limit

    CERN Document Server

    Chowdhury, Krishanu Roy; Biswas, Soumyajyoti; Chakrabarti, Bikas K

    2011-01-01

    We study a recently proposed kinetic exchange opinion model (Lallouache et. al., Phys. Rev E 82, 056112 (2010)) in the limit of a single parameter map. Although it does not include the essentially complex behavior of the multiagent version, it provides us with the insight regarding the choice of order parameter for the system as well as some of its other dynamical properties. We also study the generalized two-parameter version of the model, and provide the exact phase diagram. The universal behavior along this phase boundary in terms of the suitably defined order parameter is seen.

  18. Estimation of the overall kinetic parameters of enzyme inactivation using an isoconversional method

    OpenAIRE

    2008-01-01

    Estimation of the overall kinetic parameters of enzyme inactivation using an isoconversional method correspondance: Corresponding author. Tel./fax: +40 213275116, +40 722624585 (Mobile). (Raducan, Adina) (Raducan, Adina) Department of Physical Chemistry--> , Faculty of Chemistry--> , University of Bucharest--> , Bd. Elisabeta 4-12--> , 030018--> , Bucharest--> - RO...

  19. Estimating kinetic parameters of complex catalytic reactions using a curve resolution based method

    NARCIS (Netherlands)

    Cruz, S.C.; Rothenberg, G.; Westerhuis, J.A.; Smilde, A.K.

    2008-01-01

    A Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) based algorithm is used to extract kinetic parameters from on-line FT - NIR data of a series of Heck reactions between iodobenzene and n-butyl acrylate (NBA), measured at different temperatures with different catalysts. Four

  20. Dynamic identification of growth and survival kinetic parameters of microorganisms in foods

    Science.gov (United States)

    Inverse analysis is a mathematical method used in predictive microbiology to determine the kinetic parameters of microbial growth and survival in foods. The traditional approach in inverse analysis relies on isothermal experiments that are time-consuming and labor-intensive, and errors are accumula...

  1. Curcumin and kaempferol prevent lysozyme fibril formation by modulating aggregation kinetic parameters.

    Science.gov (United States)

    Borana, Mohanish S; Mishra, Pushpa; Pissurlenkar, Raghuvir R S; Hosur, Ramakrishna V; Ahmad, Basir

    2014-03-01

    Interaction of small molecule inhibitors with protein aggregates has been studied extensively, but how these inhibitors modulate aggregation kinetic parameters is little understood. In this work, we investigated the ability of two potential aggregation inhibiting drugs, curcumin and kaempferol, to control the kinetic parameters of aggregation reaction. Using thioflavin T fluorescence and static light scattering, the kinetic parameters such as amplitude, elongation rate constant and lag time of guanidine hydrochloride-induced aggregation reactions of hen egg white lysozyme were studied. We observed a contrasting effect of inhibitors on the kinetic parameters when aggregation reactions were measured by these two probes. The interactions of these inhibitors with hen egg white lysozyme were investigated using fluorescence quench titration method and molecular dynamics simulations coupled with binding free energy calculations. We conclude that both the inhibitors prolong nucleation of amyloid aggregation through binding to region of the protein which is known to form the core of the protein fibril, but once the nucleus is formed the rate of elongation is not affected by the inhibitors. This work would provide insight into the mechanism of aggregation inhibition by these potential drug molecules. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Accurate kinetic parameter estimation during progress curve analysis of systems with endogenous substrate production.

    Science.gov (United States)

    Goudar, Chetan T

    2011-10-01

    We have identified an error in the published integral form of the modified Michaelis-Menten equation that accounts for endogenous substrate production. The correct solution is presented and the error in both the substrate concentration, S, and the kinetic parameters Vm , Km , and R resulting from the incorrect solution was characterized. The incorrect integral form resulted in substrate concentration errors as high as 50% resulting in 7-50% error in kinetic parameter estimates. To better reflect experimental scenarios, noise containing substrate depletion data were analyzed by both the incorrect and correct integral equations. While both equations resulted in identical fits to substrate depletion data, the final estimates of Vm , Km , and R were different and Km and R estimates from the incorrect integral equation deviated substantially from the actual values. Another observation was that at R = 0, the incorrect integral equation reduced to the correct form of the Michaelis-Menten equation. We believe this combination of excellent fits to experimental data, albeit with incorrect kinetic parameter estimates, and the reduction to the Michaelis-Menten equation at R = 0 is primarily responsible for the incorrectness to go unnoticed. However, the resulting error in kinetic parameter estimates will lead to incorrect biological interpretation and we urge the use of the correct integral form presented in this study.

  3. A novel optimization approach to estimating kinetic parameters of the enzymatic hydrolysis of corn stover

    Directory of Open Access Journals (Sweden)

    Fenglei Qi

    2016-01-01

    Full Text Available Enzymatic hydrolysis is an integral step in the conversion of lignocellulosic biomass to ethanol. The conversion of cellulose to fermentable sugars in the presence of inhibitors is a complex kinetic problem. In this study, we describe a novel approach to estimating the kinetic parameters underlying this process. This study employs experimental data measuring substrate and enzyme loadings, sugar and acid inhibitions for the production of glucose. Multiple objectives to minimize the difference between model predictions and experimental observations are developed and optimized by adopting multi-objective particle swarm optimization method. Model reliability is assessed by exploring likelihood profile in each parameter space. Compared to previous studies, this approach improved the prediction of sugar yields by reducing the mean squared errors by 34% for glucose and 2.7% for cellobiose, suggesting improved agreement between model predictions and the experimental data. Furthermore, kinetic parameters such as K2IG2, K1IG, K2IG, K1IA, and K3IA are identified as contributors to the model non-identifiability and wide parameter confidence intervals. Model reliability analysis indicates possible ways to reduce model non-identifiability and tighten parameter confidence intervals. These results could help improve the design of lignocellulosic biorefineries by providing higher fidelity predictions of fermentable sugars under inhibitory conditions.

  4. Thermal kinetic and dielectric parameters of acenaphthene crystal grown by vertical Bridgman technique

    Science.gov (United States)

    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.

  5. Inverse and direct modeling applied in the estimation of kinetic parameters of BSA adsorption

    Directory of Open Access Journals (Sweden)

    David Curbelo Rodríguez

    2010-11-01

    Full Text Available Normal 0 21 false false false MicrosoftInternetExplorer4 /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Tabla normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-parent:""; mso-padding-alt:0cm 5.4pt 0cm 5.4pt; mso-para-margin:0cm; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:10.0pt; font-family:"Times New Roman"; mso-ansi-language:#0400; mso-fareast-language:#0400; mso-bidi-language:#0400;} The kinetic modeling applied in the parameters estimation of chromatographic adsorption processes is an important tool in the understanding and improvement of these separation systems. In this work, two kinetic models were utilized in the parameters estimation of BSA adsorption. The correlations between the irreversible kinetic model and the reversible kinetic model with the experimental data were carried out using the Linear Driving Force and the Random Restricted Window (R2W method, respectively. From both models was possible to achieve a good fit with the experimental data, obtaining parameters with higher accuracy due to the low residues of the cost function.

  6. Kinetics of 12-Hydroxyoctadecanoic Acid SAFiN Crystallization Rationalized Using Hansen Solubility Parameters.

    Science.gov (United States)

    Rogers, Michael A; Marangoni, Alejandro G

    2016-12-06

    Changes in solvent chemistry influenced kinetics of both nucleation and crystallization of 12-hydroxyoctadecenoic, as determined using differential scanning calorimetry and applying a modified Avrami model to the calorimetric data. Altering solvent properties influenced solvent-gelator compatibility, which in turn altered the chemical potential of the system at the onset of crystallization, the kinetics of gelation, and the resulting 12HOA crystal fiber length. The chemical potential at the onset of crystallization was linearly correlated to both the hydrogen-bonding Hansen solubility parameter and the solvent-gelator vectorial distance in Hansen space, Ra. Our work suggests that solvent properties can be modulated to affect the solubility of 12HOA, which in turn influences the kinetics of crystallization and the self-assembly of this organogelator into supramolecular crystalline structures. Therefore, modulation of solvent properties during organogelation can be used to control fiber length and thus engineer the physical properties of the gel.

  7. Parameter estimation for whole-body kinetic model of FDG metabolism

    Institute of Scientific and Technical Information of China (English)

    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.

  8. Absorption and desorption mass transfer rates in chemically enhanced reactive systems. Part II : Reverse kinetic rate parameters

    NARCIS (Netherlands)

    Hamborg, Espen S.; Versteeg, Geert F.

    2012-01-01

    The forward and reverse kinetic rate parameters have been determined for CO2 absorption and desorption mass transfer processes in aqueous 2.0 M MDEA solutions at temperatures of 298.15, 313.15, and 333.15 K and the loading of CO2 ranging from 0 to 0.8. The derived kinetic rate parameters have been b

  9. An investigation on the catalytic capacity of dolomite in transesterification and the calculation of kinetic parameters.

    Science.gov (United States)

    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.

  10. Investigation of the effect of organic solvents on kinetic parameters in metal catalyzed reactions

    Directory of Open Access Journals (Sweden)

    GORDANA A. MILOVANOVIC

    2000-03-01

    Full Text Available The effects of acetone and acetonitrile on the kinetic parameters of azorubin S oxidation by hydrogen peroxide catalyzed by manganese(II, pyrocatechol violet oxidation by hydrogen peroxide catalyzed by copper(II, and carminic acid oxidation by hydrogen peroxide catalyzed by copper(II and activated by bifenox, were examined. It was established that the examined solvents exhibit various effects on the kinetic parameters of the above said reactions. In a11 instances a change in the solvent concentration effects both the anthalpy and the entropy contributions to the free activation energy during the transition of the system into the active state, as well as the constant of the active complex formed at this point.

  11. Optimization of Process Parameters and Kinetic Model of Enzymatic Extraction of Polyphenols from Lonicerae Flos

    OpenAIRE

    Kong,Fansheng; Yu, Shujuan; Bi, Yongguang; Huang, Xiaojun; Huang, Mengqian

    2016-01-01

    Objective: To optimize and verify the cellulase extraction of polyphenols from honeysuckle and provide a reference for enzymatic extracting polyphenols from honeysuckle. Materials and Methods: The uniform design was used According to Fick's first law and kinetic model, fitting analysis of the dynamic process of enzymatic extracting polyphenols was conducted. Results: The optimum enzymatic extraction parameters for polyphenols from honeysuckle are found to be 80% (v/v) of alcohol, 35:1 (mL/g) ...

  12. Classical nucleation theory of immersion freezing: sensitivity of contact angle schemes to thermodynamic and kinetic parameters

    Science.gov (United States)

    Ickes, Luisa; Welti, André; Lohmann, Ulrike

    2017-02-01

    Heterogeneous ice formation by immersion freezing in mixed-phase clouds can be parameterized in general circulation models (GCMs) by classical nucleation theory (CNT). CNT parameterization schemes describe immersion freezing as a stochastic process, including the properties of insoluble aerosol particles in the droplets. There are different ways to parameterize the properties of aerosol particles (i.e., contact angle schemes), which are compiled and tested in this paper. The goal of this study is to find a parameterization scheme for GCMs to describe immersion freezing with the ability to shift and adjust the slope of the freezing curve compared to homogeneous freezing to match experimental data. We showed in a previous publication that the resulting freezing curves from CNT are very sensitive to unconstrained kinetic and thermodynamic parameters in the case of homogeneous freezing. Here we investigate how sensitive the outcome of a parameter estimation for contact angle schemes from experimental data is to unconstrained kinetic and thermodynamic parameters. We demonstrate that the parameters describing the contact angle schemes can mask the uncertainty in thermodynamic and kinetic parameters. Different CNT formulations are fitted to an extensive immersion freezing dataset consisting of size-selected measurements as a function of temperature and time for different mineral dust types, namely kaolinite, illite, montmorillonite, microcline (K-feldspar), and Arizona test dust. We investigated how accurate different CNT formulations (with estimated fit parameters for different contact angle schemes) reproduce the measured freezing data, especially the time and particle size dependence of the freezing process. The results are compared to a simplified deterministic freezing scheme. In this context, we evaluated which CNT-based parameterization scheme able to represent particle properties is the best choice to describe immersion freezing in a GCM.

  13. Reliability of spatiotemporal and kinetic gait parameters determined by a new instrumented treadmill system.

    Science.gov (United States)

    Reed, Lloyd F; Urry, Stephen R; Wearing, Scott C

    2013-08-21

    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. Thirty three healthy adults (mean age, 21.5 ± 2.8 years; height, 168.4 ± 9.9 cm; and mass, 67.8 ± 18.6 kg), walked barefoot on a treadmill system (FDM-THM-S, Zebris Medical GmbH) on three separate occasions. For each testing session, participants set their preferred pace but were blinded to treadmill speed. Spatial (foot rotation, step width, stride and step length), temporal (stride and step times, duration of stance, swing and single and double support) and peak vertical ground reaction force variables were collected over a 30-second capture period, equating to an average of 52 ± 5 steps of steady-state walking. Testing was repeated one week following the initial trial and again, for a third time, 20 minutes later. Repeated measures ANOVAs within a generalized linear modelling framework were used to assess between-session differences in gait parameters. Agreement between gait parameters measured within the same day (session 2 and 3) and between days (session 1 and 2; 1 and 3) were evaluated using the 95% repeatability coefficient. There were statistically significant differences in the majority (14/16) of temporal, spatial and kinetic gait parameters over the three test sessions (P < .01). The minimum change that could be detected with 95% confidence ranged between 3% and 17% for temporal parameters, 14% and 33% for spatial parameters, and 4% and 20% for kinetic parameters between days. Within-day repeatability was similar to that observed between days. Temporal and kinetic gait parameters were typically more

  14. Mechanistic analysis of multi-omics datasets to generate kinetic parameters for constraint-based metabolic models

    Directory of Open Access Journals (Sweden)

    Cotten Cameron

    2013-01-01

    Full Text Available Abstract Background Constraint-based modeling uses mass balances, flux capacity, and reaction directionality constraints to predict fluxes through metabolism. Although transcriptional regulation and thermodynamic constraints have been integrated into constraint-based modeling, kinetic rate laws have not been extensively used. Results In this study, an in vivo kinetic parameter estimation problem was formulated and solved using multi-omic data sets for Escherichia coli. To narrow the confidence intervals for kinetic parameters, a series of kinetic model simplifications were made, resulting in fewer kinetic parameters than the full kinetic model. These new parameter values are able to account for flux and concentration data from 20 different experimental conditions used in our training dataset. Concentration estimates from the simplified kinetic model were within one standard deviation for 92.7% of the 790 experimental measurements in the training set. Gibbs free energy changes of reaction were calculated to identify reactions that were often operating close to or far from equilibrium. In addition, enzymes whose activities were positively or negatively influenced by metabolite concentrations were also identified. The kinetic model was then used to calculate the maximum and minimum possible flux values for individual reactions from independent metabolite and enzyme concentration data that were not used to estimate parameter values. Incorporating these kinetically-derived flux limits into the constraint-based metabolic model improved predictions for uptake and secretion rates and intracellular fluxes in constraint-based models of central metabolism. Conclusions This study has produced a method for in vivo kinetic parameter estimation and identified strategies and outcomes of kinetic model simplification. We also have illustrated how kinetic constraints can be used to improve constraint-based model predictions for intracellular fluxes and biomass

  15. Mechanistic analysis of multi-omics datasets to generate kinetic parameters for constraint-based metabolic models.

    Science.gov (United States)

    Cotten, Cameron; Reed, Jennifer L

    2013-01-30

    Constraint-based modeling uses mass balances, flux capacity, and reaction directionality constraints to predict fluxes through metabolism. Although transcriptional regulation and thermodynamic constraints have been integrated into constraint-based modeling, kinetic rate laws have not been extensively used. In this study, an in vivo kinetic parameter estimation problem was formulated and solved using multi-omic data sets for Escherichia coli. To narrow the confidence intervals for kinetic parameters, a series of kinetic model simplifications were made, resulting in fewer kinetic parameters than the full kinetic model. These new parameter values are able to account for flux and concentration data from 20 different experimental conditions used in our training dataset. Concentration estimates from the simplified kinetic model were within one standard deviation for 92.7% of the 790 experimental measurements in the training set. Gibbs free energy changes of reaction were calculated to identify reactions that were often operating close to or far from equilibrium. In addition, enzymes whose activities were positively or negatively influenced by metabolite concentrations were also identified. The kinetic model was then used to calculate the maximum and minimum possible flux values for individual reactions from independent metabolite and enzyme concentration data that were not used to estimate parameter values. Incorporating these kinetically-derived flux limits into the constraint-based metabolic model improved predictions for uptake and secretion rates and intracellular fluxes in constraint-based models of central metabolism. This study has produced a method for in vivo kinetic parameter estimation and identified strategies and outcomes of kinetic model simplification. We also have illustrated how kinetic constraints can be used to improve constraint-based model predictions for intracellular fluxes and biomass yield and identify potential metabolic limitations through the

  16. Interference of macroscopic superpositions

    CERN Document Server

    Vecchi, I

    2000-01-01

    We propose a simple experimental procedure based on the Elitzur-Vaidman scheme to implement a quantum nondemolition measurement testing the persistence of macroscopic superpositions. We conjecture that its implementation will reveal the persistence of superpositions of macroscopic objects in the absence of a direct act of observation.

  17. A methodology for modeling photocatalytic reactors for indoor pollution control using previously estimated kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    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%.

  18. Mathematical modeling taking into account of intrinsic kinetic properties of cylinder-type vanadium catalyst

    Institute of Scientific and Technical Information of China (English)

    陈振兴; 李洪桂; 王零森

    2004-01-01

    The method to calculate internal surface effective factor of cylinder-type vanadium catalyst Ls-9 was given. Based on hypothesis of subjunctive one dimension diffusion and combined shape adjustment factor with threestep catalytic mechanism model, the macroscopic kinetic model equation about SO2 oxidation on Ls-9 was deduced.With fixed-bed integral reactor and under the conditions of temperature 350 - 410 ℃, space velocity 1 800 - 5 000h-1, SO2 inlet content 7 %- 12%, the macroscopic kinetic data were detected. Through model parameter estimation,the macroscopic kinetic model equation was obtained.

  19. An Evaluation of Kinetic Parameters of Cadmium and Copper Biosorption by Immobilized Cells

    Directory of Open Access Journals (Sweden)

    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.

  20. Comparison of Parameter Estimation Methods in Stochastic Chemical Kinetic Models: Examples in Systems Biology.

    Science.gov (United States)

    Gupta, Ankur; Rawlings, James B

    2014-04-01

    Stochastic chemical kinetics has become a staple for mechanistically modeling various phenomena in systems biology. These models, even more so than their deterministic counterparts, pose a challenging problem in the estimation of kinetic parameters from experimental data. As a result of the inherent randomness involved in stochastic chemical kinetic models, the estimation methods tend to be statistical in nature. Three classes of estimation methods are implemented and compared in this paper. The first is the exact method, which uses the continuous-time Markov chain representation of stochastic chemical kinetics and is tractable only for a very restricted class of problems. The next class of methods is based on Markov chain Monte Carlo (MCMC) techniques. The third method, termed conditional density importance sampling (CDIS), is a new method introduced in this paper. The use of these methods is demonstrated on two examples taken from systems biology, one of which is a new model of single-cell viral infection. The applicability, strengths and weaknesses of the three classes of estimation methods are discussed. Using simulated data for the two examples, some guidelines are provided on experimental design to obtain more information from a limited number of measurements.

  1. Determination of kinetic parameters for 123-I thyroid uptake in healthy Japanese

    Science.gov (United States)

    Kusuhara, Hiroyuki; Maeda, Kazuya

    2017-09-01

    The purpose of this study was to compare the kinetic parameters for iodide thyroid accumulation in Japanese today with previously reported values. We determined the thyroid uptake of 123-I at 24 hours after the oral administration in healthy male Japanese without any diet restriction. The mean value was 16.1±5.4%, which was similar or rather lower than those previously reported in Japan (1958-1972). Kinetic model analysis was conducted to obtain the clearance for thyroid uptake from the blood circulation. The thyroid uptake clearance of 123-I was 0.540±0.073 ml/min, which was almost similar to those reported previously. There is no obvious difference in the thyroid uptake for 24 hours, and kinetic parameters in healthy Japanese for these 50 years. The fraction of distributed to the thyroid gland is lower than the ICRP reference man, and such difference must be taken into consideration to estimate the radiation exposure upon Fukushima accident in Japan.

  2. Estimating kinetic parameters in TGA using B-spline smoothing and the Friedman method

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xiaojie; Preto, Fernando [CANMET Energy Technology Centre (CETC), Natural Resources (Canada); de Jong, Wiebren [Faculty 3mE, Department of Process and Energy, ET Section, Delft University of Technology, Leeghwaterstraat 44, 2628 CD Delft (Netherlands)

    2009-10-15

    The pyrolysis of biomass occurs via several parallel/serial decomposition reactions. The kinetic parameters, namely the activation energy (E) and the pre-exponential factor (k{sub o}), do not remain constant during the pyrolysis process. A modified empirical method is introduced for calculating the activation energy (E) and the pre-exponential factor (k{sub 0}) based on the Friedman analysis [Friedman HL. Kinetics of thermal degradation of char-forming plastics from thermogravimetry - application to a phenolic plastic. [J Polym Sci C 1963;6: 183-95]. The kinetic parameters are expressed as a function of the conversion (x) during the biomass pyrolysis process. The reactions are assumed to be of first order. At least three data sets obtained at different dynamic heating rates are required. From the Friedman analysis, the conversion (x) related functions E = E(x) and k{sub o} = k{sub o}(x) can be obtained by a B-spline regression method. The pyrolysis can hence be described as: dx/ dt=k(1-x)=k{sub o}(x). exp (-E(x)/RT)(1-x). In this paper, the adapted method is applied to pyrolysis of cellulose and two biomass fuels (meat and bone meal, chicken litter). Experiments were carried out at 2, 10 and 50 K min{sup -1} by thermogravimetric analysis. A good fit of the calculated conversion with experimental data was found. (author)

  3. Parameter inference for discretely observed stochastic kinetic models using stochastic gradient descent

    Directory of Open Access Journals (Sweden)

    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

  4. Inferring Mechanistic Parameters from Amyloid Formation Kinetics by Approximate Bayesian Computation.

    Science.gov (United States)

    Nakatani-Webster, Eri; Nath, Abhinav

    2017-03-14

    Amyloid formation is implicated in a number of human diseases, and is thought to proceed via a nucleation-dependent polymerization mechanism. Experimenters often wish to relate changes in amyloid formation kinetics, for example, in response to small molecules to specific mechanistic steps along this pathway. However, fitting kinetic fibril formation data to a complex model including explicit rate constants results in an ill-posed problem with a vast number of potential solutions. The levels of uncertainty remaining in parameters calculated from these models, arising both from experimental noise and high levels of degeneracy or codependency in parameters, is often unclear. Here, we demonstrate that a combination of explicit mathematical models with an approximate Bayesian computation approach can be used to assign the mechanistic effects of modulators on amyloid fibril formation. We show that even when exact rate constants cannot be extracted, parameters derived from these rate constants can be recovered and used to assign mechanistic effects and their relative magnitudes with a great deal of confidence. Furthermore, approximate Bayesian computation provides a robust method for visualizing uncertainty remaining in the model parameters, regardless of its origin. We apply these methods to the problem of heparin-mediated tau polymerization, which displays complex kinetic behavior not amenable to analysis by more traditional methods. Our analysis indicates that the role of heparin cannot be explained by enhancement of nucleation alone, as has been previously proposed. The methods described here are applicable to a wide range of systems, as models can be easily adapted to account for new reactions and reversibility.

  5. Accounting for the kinetics in order parameter analysis: lessons from theoretical models and a disordered peptide

    CERN Document Server

    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...

  6. Castor oil transesterification reaction: A kinetic study and optimization of parameters

    Energy Technology Data Exchange (ETDEWEB)

    Ramezani, K. [Fuel Cell Research Laboratory, Green Research Center, Iran University of Science and Technology, Tehran (Iran); Rowshanzamir, S. [Fuel Cell Research Laboratory, Green Research Center, Iran University of Science and Technology, Tehran (Iran); School of Chemical Engineering, Iran University of Science and Technology, Tehran (Iran); Eikani, M.H. [Department of Chemical Industries, Iranian Research Organization for Science and Technology (IROST), Tehran (Iran)

    2010-10-15

    In this paper, parameters affecting castor oil transesterification reaction were investigated. Applying four basic catalysts including NaOCH{sub 3}, NaOH, KOCH{sub 3} and KOH the best one with maximum biodiesel yield was identified. Using Taguchi method consisting four parameters and three levels, the best experimental conditions were determined. Reaction temperature (25, 65 and 80 C), mixing intensity (250, 400 and 600 rpm), alcohol/oil ratio (4:1, 6:1 and 8:1) and catalyst concentration (0.25, 0.35 and 0.5%) were selected as experimental parameters. It was concluded that reaction temperature and mixing intensity can be optimized. Using the optimum results, we proposed a kinetic model which resulted in establishing an equation for the beginning rate of transesterification reaction. Furthermore, applying ASTM D 976 correlation, minimum cetane number of produced biodiesel was determined as 37.1. (author)

  7. Identification of the crystallization kinetic parameters of a semi-crystalline polymer by using PVTα measurement

    Science.gov (United States)

    Tardif, X.; Sobotka, V.; Boyard, N.; Delaunay, D.

    2011-05-01

    Injection molding is the most widely used process in the plastic industry. In the case of semi-crystalline polymer, crystallization kinetics impacts directly the quality of the piece, both on dimensional and mechanical aspects. The characterization of these kinetics is therefore of primary importance to model the process, in particular during the cooling phase. To be representative, this characterization must be carried out under conditions as close as possible to those encountered in the process: high pressure, high cooling rate, shearing, and potential presence of fibers. However, conventional apparatus such as the differential scanning calorimeter do not allow to reach these conditions. A PVTα apparatus, initially developed in the laboratory for the characterization of thermoset composites, was adapted to identify the crystallization kinetics. The aim of the presented study is to demonstrate the feasibility of the identification. This device allows the molding of a circular sample of 40 mm diameter and 6 mm thick by controlling the applied pressure on the sample and the temperature field on its surfaces. This mold is designed such as heat transfer is 1D within the thickness of the sample. It is equipped with two heat flux sensors to determine the average crystallization rate through the thickness and a displacement sensor for the determination of the volume change. The heat transfer problem between the polymer and the molding cavity is modeled by using a 1D conduction problem with a moving boundary, in which the control volume is a uniform temperature disk with a variable volume, and coupled to a crystallization kinetic model. An inverse method is used to identify the parameters of the crystallization kinetic model by minimizing an objective function based on the difference between the evolutions of the experimental and computed volume of the sample. The first validation of this methodology was to compare the kinetic parameters identified with this apparatus

  8. Establishment and application of a new method for the determination of kinetic parameters by plug-plug kinetic capillary electrophoresis (ppKCE)

    Institute of Scientific and Technical Information of China (English)

    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,

  9. Establishment and application of a new method for the determination of kinetic parameters by plug-plug kinetic capillary electrophoresis (ppKCE)

    Institute of Scientific and Technical Information of China (English)

    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.

  10. Calculating kinetics parameters and reactivity changes with continuous-energy Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Kiedrowski, Brian C [Los Alamos National Laboratory; Brown, Forrest B [Los Alamos National Laboratory; Wilson, Paul [UNIV. WISCONSIN

    2009-01-01

    The iterated fission probability interpretation of the adjoint flux forms the basis for a method to perform adjoint weighting of tally scores in continuous-energy Monte Carlo k-eigenvalue calculations. Applying this approach, adjoint-weighted tallies are developed for two applications: calculating point reactor kinetics parameters and estimating changes in reactivity from perturbations. Calculations are performed in the widely-used production code, MCNP, and the results of both applications are compared with discrete ordinates calculations, experimental measurements, and other Monte Carlo calculations.

  11. Gas phase NMR spectra of N,N-dimethylnitrosamine. Environmental effects on kinetic parameters

    Science.gov (United States)

    Chauvel, J. Paul; Leung, Doris Y.; True, Nancy S.

    1984-04-01

    Gas phase 1H NMR spectra of N,N-dimethylnitrosamine are consistent with first order chemical exchange rate constants which are ca. 25 times faster than those observed in neat liquids at corresponding temperatures. The associated kinetic parameters: Eact(∞), 20.5(1.1) kcal mol -1, Δ H‡, 19.7(1.0) kcal mol -1 and Δ G‡, 21.1(0.4) kcal mol -1 are approximately 2.5 kcal mol -1 lower than the most recently reported values for the neat liquid. The observed phase dependence is consistent with a process proceeding via a freely rotating transition state.

  12. The strong prognostic value of KELIM, a model-based parameter from CA 125 kinetics in ovarian cancer

    DEFF Research Database (Denmark)

    You, Benoit; Colomban, Olivier; Heywood, Mark;

    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....

  13. Sensitivity analysis in oxidation ditch modelling: the effect of variations in stoichiometric, kinetic and operating parameters on the performance indices

    NARCIS (Netherlands)

    Abusam, A.A.A.; Keesman, K.J.; Straten, van G.; Spanjers, H.; Meinema, K.

    2001-01-01

    This paper demonstrates the application of the factorial sensitivity analysis methodology in studying the influence of variations in stoichiometric, kinetic and operating parameters on the performance indices of an oxidation ditch simulation model (benchmark). Factorial sensitivity analysis investig

  14. Classical nucleation theory of homogeneous freezing of water: thermodynamic and kinetic parameters.

    Science.gov (United States)

    Ickes, Luisa; Welti, André; Hoose, Corinna; Lohmann, Ulrike

    2015-02-28

    The probability of homogeneous ice nucleation under a set of ambient conditions can be described by nucleation rates using the theoretical framework of Classical Nucleation Theory (CNT). This framework consists of kinetic and thermodynamic parameters, of which three are not well-defined (namely the interfacial tension between ice and water, the activation energy and the prefactor), so that any CNT-based parameterization of homogeneous ice formation is less well-constrained than desired for modeling applications. Different approaches to estimate the thermodynamic and kinetic parameters of CNT are reviewed in this paper and the sensitivity of the calculated nucleation rate to the choice of parameters is investigated. We show that nucleation rates are very sensitive to this choice. The sensitivity is governed by one parameter - the interfacial tension between ice and water, which determines the energetic barrier of the nucleation process. The calculated nucleation rate can differ by more than 25 orders of magnitude depending on the choice of parameterization for this parameter. The second most important parameter is the activation energy of the nucleation process. It can lead to a variation of 16 orders of magnitude. By estimating the nucleation rate from a collection of droplet freezing experiments from the literature, the dependence of these two parameters on temperature is narrowed down. It can be seen that the temperature behavior of these two parameters assumed in the literature does not match with the predicted nucleation rates from the fit in most cases. Moreover a comparison of all possible combinations of theoretical parameterizations of the dominant two free parameters shows that one combination fits the fitted nucleation rates best, which is a description of the interfacial tension coming from a molecular model [Reinhardt and Doye, J. Chem. Phys., 2013, 139, 096102] in combination with the activation energy derived from self-diffusion measurements [Zobrist

  15. Prediction of pyrolysis kinetic parameters from biomass constituents based on simplex-lattice mixture design☆

    Institute of Scientific and Technical Information of China (English)

    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.

  16. Effect of diet-induced obesity on kinetic parameters of amino acid uptake by rat erythrocytes.

    Science.gov (United States)

    Picó, C; Pons, A; Palou, A

    1992-11-01

    The effects of cafeteria diet-induced obesity upon in vitro uptake of L-Alanine, Glycine, L-Lysine, L-Glutamine, L-Glutamic acid, L-Phenylalanine and L-Leucine by isolated rat erythrocytes have been studied. The total Phe and Leu uptakes followed Michaelis-Menten kinetics. The Glu uptake was fitted to diffusion kinetics. The uptakes of Ala, Gly, Lys and Gln were best explained by a two-component transport: one saturable and one diffusion. Obesity increased the Km value for Ala, Gln and Leu, and the Vmax value for Ala, but decreased the Vmax for Lys. Kinetic parameters of Phe uptake were unaffected by obesity. In addition, the pseudo-first order rate constant (Vmax/Km) for Ala, Gly, Gln, Lys and Leu uptake decreased as a result of cafeteria diet-induced obesity. The Kd value for Ala, Gly, Gln and Glu decreased and that of Lys increased as result of obesity. These adaptations could, at least in part, explain alterations in amino acid distribution between blood cells and plasma related to overfeeding or obesity.

  17. Influence of solution parameters on europium(III), α-Al2O3, and humic acid interactions: Macroscopic and time-resolved laser-induced luminescence data

    Science.gov (United States)

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

    2013-12-01

    Speciation of Eu(III) in the presence of purified Aldrich humic acid (PAHA) and/or α-Al2O3 has been studied by time-resolved luminescence spectroscopy as a function of pH, ionic strength and PAHA concentration. The comparisons of macroscopic and spectroscopic data (adsorption, spectra, and decay times analyses) between the ternary system, i.e., Eu(III)/PAHA/α-Al2O3, and the corresponding binary systems are comprehensively presented. As expected, results show almost no influence of ionic strength on Eu(III) adsorption onto α-Al2O3. However, in the binary Eu(III)/PAHA system, it is clearly shown that variations of electrolyte concentration, which modify PAHA conformation, influence the symmetry of the humic-bound Eu(III) at pH ⩾ 7. In the ternary system, adsorption of both Eu(III) and PAHA onto the surface decreases with ionic strength. At I = 0.01 M NaClO4, Eu(III) luminescence decay is much faster than at I = 0.1 M NaClO4. This is most likely due to the lower surface concentration of PAHA at lower ionic strength, leading to a less constrained environment for Eu(III) ions. At high pH, luminescence spectra are different at the two ionic strengths studied. Concerning the influence of PAHA concentration, spectroscopic results show that in the binary Eu(III)/PAHA system complete complexation of 1 μM Eu(III) is reached for 16 mgPAHA l-1 at pH 4, and for lower PAHA concentrations at higher pH. At the same PAHA concentration, asymmetry ratios are comparable between the binary Eu(III)/PAHA system and the ternary system between pH 4 and 7.7. This means that the presence of mineral surface has almost no influence on Eu(III) environment symmetry below pH 8; hence, under these acid to neutral pH conditions, the occurrence of Eu(III)-bridged humic surface complexes is not likely. In the ternary system, at different pH, luminescence decay times of Eu(III) increase with PAHA concentration. They are much higher in the ternary system than in the binary Eu(III)/PAHA system

  18. Determination of the kinetic parameters of Be O using isothermal decay method

    Energy Technology Data Exchange (ETDEWEB)

    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)

  19. Electron transport parameters in CO$_2$: scanning drift tube measurements and kinetic computations

    CERN Document Server

    Vass, M; Loffhagen, D; Pinhao, N; Donko, Z

    2016-01-01

    This work presents transport coefficients of electrons (bulk drift velocity, longitudinal diffusion coefficient, and effective ionization frequency) in CO2 measured under time-of-flight conditions over a wide range of the reduced electric field, 15Td <= E/N <= 2660Td in a scanning drift tube apparatus. The data obtained in the experiments are also applied to determine the effective steady-state Townsend ionization coefficient. These parameters are compared to the results of previous experimental studies, as well as to results of various kinetic computations: solutions of the electron Boltzmann equation under different approximations (multiterm and density gradient expansions) and Monte Carlo simulations. The experimental data extend the range of E/N compared with previous measurements and are consistent with most of the transport parameters obtained in these earlier studies. The computational results point out the range of applicability of the respective approaches to determine the different measured tr...

  20. Sensitivity of benzene natural attenuation to variations in kinetic and transport parameters in Liwa Aquifer, UAE.

    Science.gov (United States)

    Mohamed, Mohamed M; Saleh, Nawal E; Sherif, Mohsen M

    2010-04-01

    Dissolved benzene was detected in the shallow unconfined Liwa aquifer (UAE). This aquifer represents the main freshwater source for a nearby residence camp area. A finite element model is used to simulate the fate, transport, and attenuation of the dissolved benzene plume to help decision makers assess natural attenuation as a viable remediation option. Sensitivity of benzene attenuation to uncertainties in the estimation of some of the kinetic and transport parameters is studied. It was found that natural attenuation is more sensitive to microbial growth rate and half saturation coefficients of both benzene and oxygen than initial biomass concentration and dispersivity coefficients. Increasing microbial growth rate by fourfold increased natural attenuation effectiveness after 40 years by 10%; while decreasing it by fourfold decreased natural attenuation effectiveness by 77%. On the other hand, increasing half saturation coefficient by fourfold decreased natural attenuation effectiveness by 46% in 40 years. Decreasing the same parameter fourfold caused natural attenuation effectiveness to increase by 9%.

  1. Estimation of kinetics parameters in Beckmann rearrangement of cyclohexanone oxime using genetic algorithm

    Institute of Scientific and Technical Information of China (English)

    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.

  2. Ethanol Production from Whey by Kluyveromyces marxianus in Batch Fermentation System: Kinetics Parameters Estimation

    Directory of Open Access Journals (Sweden)

    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  |

  3. Development of a spontaneous heating liability index of coal from kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Panigrahi, D.C.; Mishra, N.M. [Indian School of Mines, Dhanbad (India); Sahu, H.B. [National Inst. of Technology, Rourkela (India)

    2008-06-15

    This paper presented a newly developed spontaneous heating liability index (SHLI) of coal using a kinetics of low temperature oxidation approach. The oxidation rate was seen as a function of the temperature-dependent rate constant and a reaction model. An Arrhenius equation was used to examine the effects of temperature on the constant rate. Energy transferred through the coal during the reaction process was predicted using a Frank-Kamenetski model for conductive heat flow. Parameters examined in the study included the enthalpy change; the specific heat of the coal; the rate constant; and the time required to reach a specific temperature. Thirty-one coal samples were used to test the validity of the model. Experiments were conducted to obtain kinetic parameters for the samples. The susceptibility of the samples to spontaneous combustion was ascertained using a standard crossing-point temperature measurement method. The moisture percentage of the samples was obtained using a proximate analysis. A comparison of the SHLI and the crossing point temperature method demonstrated that the SHLI predicted the susceptibility of the coal to spontaneous heating more accurately than the crossing point temperature method.

  4. Effect of Drop Foot on Spatiotemporal, Kinematic, and Kinetic Parameters during Gait

    Directory of Open Access Journals (Sweden)

    Ida Wiszomirska

    2017-01-01

    Full Text Available Background. The complexity of the structure and function of a living body can be affected by disorders and can cause various dysfunctions. Objective. The aim of this study was to determine compensatory mechanisms in subjects with drop foot during gait. Methods. The study evaluated 10 subjects with drop foot (DF whose results were compared to a group of 10 healthy controls (C. Spatiotemporal, kinematic, and kinetic parameters during the gait cycle were collected using Vicon system synchronized with Kistler platforms. Results. Spatiotemporal, kinematic, and kinetic parameters were significantly different between the analysed groups. In the DF group, the subjects walked almost 47% slower and performed 60% less steps per minute compared to the C group. The main problem in the DF group was insufficient ankle dorsiflexion in the 0–10% of the gait cycle. Mean values in the groups during the first 10% of the gait cycle were as follows: DF (−10.42 ± 5.7° and C (−2.37 ± 1.47°, which affected the substantial differences in the values of muscle torque: DF (0.2 ± 0.1 Nm/kg and C (−0.26 ± 0.06 Nm/kg. Conclusions. Comparative analysis for joint angles and torques demonstrated that the mechanism of compensation is the most noticeable in the knee joint and less in the hip joint.

  5. Determination of kinetic parameters for monitoring source driven subcritical transmutation devices

    Energy Technology Data Exchange (ETDEWEB)

    Becker, Maarten

    2014-03-15

    ADS are considered as an option for the irradiation facility in partitioning and transmutation concepts for highly radioactive waste from spent nuclear fuel. Due to the hard neutron energy spectrum and the subcriticality of the reactor ADS provide a good compromise between transmutation performance and safety aspects. For the safe operation, but also for the overall optimization of the facility, the determination of the subcriticality level is essential. To investigate experimental methods in Pulsed Neutron Source (PNS) experiments for the determination of the subcriticality level the ADS experiment YALINA-Thermal is thoroughly analyzed in this work. The experiment has been performed from 2005-2010 in Minsk, Belarus. Most of the related experimental methods rely on point kinetic equations. This approach introduces two main approximations. Firstly, the point kinetic equation cannot describe the transition of the neutron distribution from the source operation to the source shutdown. After shutdown, the neutron population would redistribute to establish the fundamental decay mode. This violates the point kinetic assumption of neutron flux spectra constant in time. Secondly, to calculate kinetic parameters like the neutron mean generation time and the effective delayed neutron fraction the neutron flux distribution of the effective multiplication factor equation is typically used, which is equivalent to an artificial critical steady-state reactor. However, it is the time-dependence of the decay of the neutron populations including their redistribution in space and energy, which affects the analyzed kinetic parameters. Consequently, this work aims for the accurate simulation of these phenomena with particular emphasis on the quality of the effective neutron cross sections. In this work new microscopic master libraries based on the JEFF 3.1, JEFF 3.1.1 and ENDF/B VII.0 evaluations are developed with a general purpose 350 energy groups structure for the deterministic

  6. Synergistic improvement of gas sensing performance by micro-gravimetrically extracted kinetic/thermodynamic parameters

    Energy Technology Data Exchange (ETDEWEB)

    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

  7. Macroscopic quantum resonators (MAQRO)

    CERN Document Server

    Kaltenbaek, Rainer; Kiesel, Nikolai; Romero-Isart, Oriol; Johann, Ulrich; Aspelmeyer, Markus

    2012-01-01

    Quantum physics challenges our understanding of the nature of physical reality and of space-time and suggests the necessity of radical revisions of their underlying concepts. Experimental tests of quantum phenomena involving massive macroscopic objects would provide novel insights into these fundamental questions. Making use of the unique environment provided by space, MAQRO aims at investigating this largely unexplored realm of macroscopic quantum physics. MAQRO has originally been proposed as a medium-sized fundamental-science space mission for the 2010 call of Cosmic Vision. MAQRO unites two experiments: DECIDE (DECoherence In Double-Slit Experiments) and CASE (Comparative Acceleration Sensing Experiment). The main scientific objective of MAQRO, which is addressed by the experiment DECIDE, is to test the predictions of quantum theory for quantum superpositions of macroscopic objects containing more than 10e8 atoms. Under these conditions, deviations due to various suggested alternative models to quantum th...

  8. Macroscopic Theory of Dark Sector

    Directory of Open Access Journals (Sweden)

    Boris E. Meierovich

    2014-01-01

    Full Text Available A simple Lagrangian with squared covariant divergence of a vector field as a kinetic term turned out to be an adequate tool for macroscopic description of the dark sector. The zero-mass field acts as the dark energy. Its energy-momentum tensor is a simple additive to the cosmological constant. Massive fields describe two different forms of dark matter. The space-like massive vector field is attractive. It is responsible for the observed plateau in galaxy rotation curves. The time-like massive field displays repulsive elasticity. In balance with dark energy and ordinary matter it provides a four-parametric diversity of regular solutions of the Einstein equations describing different possible cosmological and oscillating nonsingular scenarios of evolution of the Universe. In particular, the singular big bang turns into a regular inflation-like transition from contraction to expansion with the accelerated expansion at late times. The fine-tuned Friedman-Robertson-Walker singular solution is a particular limiting case at the lower boundary of existence of regular oscillating solutions in the absence of vector fields. The simplicity of the general covariant expression for the energy-momentum tensor allows displaying the main properties of the dark sector analytically. Although the physical nature of dark sector is still unknown, the macroscopic theory can help analyze the role of dark matter in astrophysical phenomena without resorting to artificial model assumptions.

  9. Kinetic modeling of molecular motors: pause model and parameter determination from single-molecule experiments

    Science.gov (United States)

    Morin, José A.; Ibarra, Borja; Cao, Francisco J.

    2016-05-01

    Single-molecule manipulation experiments of molecular motors provide essential information about the rate and conformational changes of the steps of the reaction located along the manipulation coordinate. This information is not always sufficient to define a particular kinetic cycle. Recent single-molecule experiments with optical tweezers showed that the DNA unwinding activity of a Phi29 DNA polymerase mutant presents a complex pause behavior, which includes short and long pauses. Here we show that different kinetic models, considering different connections between the active and the pause states, can explain the experimental pause behavior. Both the two independent pause model and the two connected pause model are able to describe the pause behavior of a mutated Phi29 DNA polymerase observed in an optical tweezers single-molecule experiment. For the two independent pause model all parameters are fixed by the observed data, while for the more general two connected pause model there is a range of values of the parameters compatible with the observed data (which can be expressed in terms of two of the rates and their force dependencies). This general model includes models with indirect entry and exit to the long-pause state, and also models with cycling in both directions. Additionally, assuming that detailed balance is verified, which forbids cycling, this reduces the ranges of the values of the parameters (which can then be expressed in terms of one rate and its force dependency). The resulting model interpolates between the independent pause model and the indirect entry and exit to the long-pause state model

  10. The role of test parameters on the kinetics and thermodynamics of glass leaching. [None

    Energy Technology Data Exchange (ETDEWEB)

    Jantzen, C M

    1988-01-01

    The relative durabilities of nuclear waste, natural, and ancient glasses have been assessed by standard laboratory leach tests. Different test conditions result in different glass surface areas (SA), leachant volumes (V), and test durations (t). Leachate concentrations are known to be a parabolic function of the kinetic test parameter SAV/center dot/t. Based on durability experiments of glass monoliths at low (SAV)/center dot/ glass durability has been shown to be a logarithmic function of the thermodynamic hydration free energy, ..delta..G/sub hyd/. The thermodynamic hydration free energy, ..delta..G/sub hyd/, can be calculated from glass composition and solution pH. In the repository environment high effective glass surface areas to solution volume ratios may occur as a result of slow groundwater flow rates. The application of hydration thermodynamics to crushed glass, high (SAV)/center dot/t, durability tests has been demonstrated. The relative contributions of the kinetic test parameters, (SAV)/center dot/t, and the thermodynamic parameter, ..delta..G/sub hyd/, have been shown to define a plane in ..delta..G/sub hyd/-concentration-(SAV)/center dot/t space. At constant test conditions, e.g. constant (SAV/center dot/t, the intersection with this surface indicates that all /delta G//sub hyd/-concentration plots should have similar slopes and predict the same relative durabilities for various glasses as a function of glass composition. Using this approach, the durability of nuclear waste glasses has been interpolated to be -- 10/sup 6/ years and no less than 10/sup 3/ years. 28 refs., 24 figs.

  11. Evaluation of kinetic parameters of PAN fibre modified by electron beam radiation

    Energy Technology Data Exchange (ETDEWEB)

    Giovedi, Claudia; Arruda, Clarissa P. Zelinschi de; Carolino, Ana Claudia V., E-mail: giovedi@ctmsp.mar.mil.b [Centro Tecnologico da Marinha em Sao Paulo (CTMSP), SP (Brazil). Dept. de Tecnologia do Combustivel. Lab. de Caracterizacao de Materiais; Machado, Luci D.B.; Pino, Eddy S., E-mail: lmachado@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2009-07-01

    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)

  12. Integrated modeling methodology for microtubule dynamics and Taxol kinetics with experimentally identifiable parameters.

    Science.gov (United States)

    Zhao, He; Sokhansanj, Bahrad A

    2007-10-01

    Microtubule dynamics play a critical role in cell function and stress response, modulating mitosis, morphology, signaling, and transport. Drugs such as paclitaxel (Taxol) can impact tubulin polymerization and affect microtubule dynamics. While theoretical methods have been previously proposed to simulate microtubule dynamics, we develop a methodology here that can be used to compare model predictions with experimental data. Our model is a hybrid of (1) a simple two-state stochastic formulation of tubulin polymerization kinetics and (2) an equilibrium approximation for the chemical kinetics of Taxol drug binding to microtubule ends. Model parameters are biologically realistic, with values taken directly from experimental measurements. Model validation is conducted against published experimental data comparing optical measurements of microtubule dynamics in cultured cells under normal and Taxol-treated conditions. To compare model predictions with experimental data requires applying a "windowing" strategy on the spatiotemporal resolution of the simulation. From a biological perspective, this is consistent with interpreting the microtubule "pause" phenomenon as at least partially an artifact of spatiotemporal resolution limits on experimental measurement.

  13. A new multi-wavelength model-based method for determination of enzyme kinetic parameters

    Indian Academy of Sciences (India)

    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.

  14. Kinetic parameter estimation and fluctuation analysis of CO at SnO 2 single nanowires

    KAUST Repository

    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.

  15. Determination of kinetic parameters of Phlomis bovei de Noé using thermogravimetric analysis.

    Science.gov (United States)

    Yahiaoui, Meriem; Hadoun, Hocine; Toumert, Idir; Hassani, Aicha

    2015-11-01

    This paper reports the pyrolysis study of Phlomis bovei biomass by thermogravimetric experiments in order to determine the thermal degradation behavior and kinetic parameters. The weight losses were found to occur in three stages. In the DTG thermograms, an increase of the heating rate tended to delay thermal degradation processes towards higher temperatures. The average values of activation energy and pre-exponential factor calculated from Ozawa-Flynn-Wall, Kissinger-Akahira-Sunose and Kissinger methods are 134.83, 134.06, 223.31kJ/mol and 4.1610(13), 1.1810(10), 2.8110(11)/s, respectively. The three-pseudo-component method shows that the activation energy increases with increasing the heating rate for hemicellulose and cellulose while the activation energy of the lignin decreased with an increase of the heating rate. Predicted results and experimental data exhibit similar tendencies and the three pseudo-components model with n different from unity 1 is recommended as the most suitable for prediction of kinetic behavior of Phlomis bovei de Noé.

  16. A new multi-wavelength model-based method for determination of enzyme kinetic parameters.

    Science.gov (United States)

    Sorouraddin, Mohammad-Hossein; Amini, Kaveh; Naseri, Abdolhossein; Vallipour, Javad; Hanaee, Jalal; Rashidi, Mohammad-Reza

    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.

  17. Does Vibration Warm-up Enhance Kinetic and Temporal Sprint Parameters?

    Science.gov (United States)

    Cochrane, D J; Cronin, M J; Fink, P W

    2015-08-01

    The aim of this study was to investigate the efficacy of vibration warm-up to enhance sprint performance. 12 males involved in representative team sports performed 4 warm-up conditions in a randomised order performed at least 24 h apart; VbX warm-up (VbX-WU); Neural activation warm-up (Neu-WU); Dynamic warm-up (Dyn-WU) and Control (No VbX). Participants completed 5 m sprint at 30 s, 2:30 min and 5 min post warm-up where sprint time, kinetics, and temporal components were recorded. There was no significant (p>0.05) main effect or interaction effect between the split sprint times of 1 m, 2.5 m, and 5 m. There was a condition effect where vertical mean force was significantly higher (p0.05) main and interaction effects in sprint kinetic and temporal parameters existed. Overall, all 4 warm-up conditions produced comparable results for sprint performance, and there was no detrimental effect on short-duration sprint performance using VbX-WU. Therefore, VbX could be useful for adding variety to the training warm-up or be included into the main warm-up routine as a supplementary modality.

  18. Calculation of kinetic parameters of Caliban metallic core experimental reactor from stochastic neutron measurements

    Energy Technology Data Exchange (ETDEWEB)

    Casoli, P.; Authier, N.; Baud, J. [Commissariat a l' energie Atomique, Centre de Valduc, 21120 Is-sur-Tille (France)

    2009-07-01

    Several experimental devices are operated by the Criticality and Neutron Science Research Department of the CEA Valduc Laboratory. One of these is the metallic core reactor Caliban. The knowledge of the fundamental kinetic parameters of the reactor is very useful, indeed necessary, to the operator. The purpose of this study was to develop and perform experiments allowing to determinate some of these parameters. The prompt neutron decay constant and particularly its value at criticality can be measured with reactor noise techniques such as the interval-distribution, the Feynman variance-to-mean, and the Rossi-{alpha} methods. By introducing the Nelson number, the effective delayed neutron fraction and the average neutron lifetime can also be calculated with the Rossi-{alpha} method. Subcritical, critical, and even supercritical experiments were performed. With the Rossi-{alpha} technique, it was found that the prompt neutron decay constant at criticality was (6.02*10{sup 5} {+-} 9%). Experiments also brought out the limitations of the used experimental parameters. (authors)

  19. Kinetic study of the anaerobic biodegradation of alkyl polyglucosides and the influence of their structural parameters.

    Science.gov (United States)

    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.

  20. Kinetic parameters of the thermal degradation of the PP and nondegraded and degraded HDPE blends

    Energy Technology Data Exchange (ETDEWEB)

    Albano, C.; Freitas, E. [Universidad Central de Venezuela, Caracas (Venezuela)

    1996-12-31

    We study the thermodegradative behavior of PP, of non-degraded and degraded HDPE and their blends, in order to analyze the thermal stability of such materials. Van-Krevelen (V-K), Coats-Redfern (C-R) and Horowitz-Metzger (H-M) integral methods as well as the Freeman-Carroll (F-C) differential one, were used to determine the kinetic parameters. The activation energy (E{sub a}) obtained for the PP mixed with non-degraded HDPE (5 to 50%) is lower than the E{sub a} correspondent to pure polymers and does not depend on the HDPE concentration. Blends of degraded materials, show an approximate value of E{sub a} of 200 kJ/mol for mixtures with concentrations by weight of HDPE up to 20%, but its value decreases drastically with higher concentrations. 11 refs., 2 tabs.

  1. Calculation of Reactor Kinetics Parameters βeff and Λ with Monte Carlo Differential Operator Sampling

    Science.gov (United States)

    Nagaya, Yasunobu

    2014-06-01

    The methods to calculate the kinetics parameters of βeff and Λ 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.

  2. One-Dimensional Modeling of an Entrained Coal Gasification Process Using Kinetic Parameters

    Directory of Open Access Journals (Sweden)

    Moonkyeong Hwang

    2016-02-01

    Full Text Available A one-dimensional reactor model was developed to simulate the performance of an entrained flow gasifier under various operating conditions. The model combined the plug flow reactor (PFR model with the well-stirred reactor (WSR model. Reaction kinetics was considered together with gas diffusion for the solid-phase reactions in the PFR model, while equilibrium was considered for the gas-phase reactions in the WSR model. The differential and algebraic equations of mass balance and energy balance were solved by a robust ODE solver, i.e., an semi-implicit Runge–Kutta method, and by a nonlinear algebraic solver, respectively. The computed gasifier performance was validated against experimental data from the literature. The difference in product gas concentration from the equilibrium model, and the underlying mechanisms were discussed further. The optimal condition was found after parameter studies were made for various operating conditions.

  3. Evaluation of kinetic parameters and redox mechanism of quinoxaline at glassy carbon electrode

    Directory of Open Access Journals (Sweden)

    Aleksić Mara M.

    2014-01-01

    Full Text Available The electrochemical behavior of a biologically important heterocyclic compound quinoxaline (QUI was investigated by cyclic voltammetry (CV in solutions of differing pH, using a glassy carbon electrode (GCE. The reduction of QUI occurs as a quasi-reversible reaction in acid medium, reaching reversibility in alkaline solutions. The kinetic parameters of the electrode process such as αnα, diffusion coefficient (D and heterogeneous rate constant (ks, were evaluated and discussed. Redox mechanism of QUI was proposed on the basis of experimental results. Reduction process involves a transfer of two electrons and two protons at the pyrazine ring of QUI forming a dihydro-derivative. In acid solutions, the product of QUI reduction undergoes irreversible oxidation in a one-electron process. The electrode processes was found to be diffusion controlled. [Projekat Ministarstva nauke Republike Srbije, br. 172033

  4. Sensitivity of natural gas HCCI combustion to fuel and operating parameters using detailed kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

    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.

  5. Study of kinetic parameters of K 2Ca 2(SO 4)3 thermoluminescence dosimeter

    Science.gov (United States)

    Choubey, A.; Das, S.; Sharma, S. K.; Manam, J.

    The dosimetry study of thermoluminescence materials is based on a good knowledge of its kinetics para-meters. A polycrystalline sample of K 2Ca 2(SO 4)3 was prepared by the solid-state diffusion method. Formation of the compound was checked by using X-ray diffraction and Fourier-transform infrared spectroscopy. Thermally stimulated luminescence (TSL) glow curves of X-ray-irradiated K 2Ca 2(SO 4)3 phosphor exhibit one glow peak at 195 °C and a shoulder at around 120 °C, indicating that two different sets of traps are being activated within the particular temperature range, each with its own value of activation energy (E) and frequency factor (s). The kinetic parameters associated with the prominent glow peak of K 2Ca 2(SO 4)3 were calculated using the isothermal luminescence decay method. The electron spin resonance study of the prepared compound exhibits the presence of img style="vertical-align: text-bottom;" class="inlinematheqn" src="/ampp/image?path=/713648881/917117136/grad_a_438565_o_ilm0001.gif" alt="./GRAD_A_438565_O_XML_IMAGES/GRAD_A_438565_O_ILM0001.gif" border="0" /> and img style="vertical-align: text-bottom;" class="inlinematheqn" src="/ampp/image?path=/713648881/917117136/grad_a_438565_o_ilm0002.gif" alt="./GRAD_A_438565_O_XML_IMAGES/GRAD_A_438565_O_ILM0002.gif" border="0" /> radical ions that are responsible for the observed TSL glow peaks. The release of hole/electron from trap centres at the characteristic trap site initiates the luminescence process in these materials.

  6. Synergistic improvement of gas sensing performance by micro-gravimetrically extracted kinetic/thermodynamic parameters.

    Science.gov (United States)

    Guo, Shuanbao; Xu, Pengcheng; Yu, Haitao; Cheng, Zhenxing; Li, Xinxin

    2015-03-10

    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 Ka and Kd, 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°, Ka, Kd, N' and θ, the BHPF-functionalized KIT-5 mesoporous silica exhibits synergistic improvement among reproducibility, sensitivity and response/recovery speed. The optimized material shows complete signal recovery, 55% sensitivity improvement than the hyper-branched polymer and 2∼3 folds faster response/recovery speed than the KIT-5 mesoporous silica.

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

    Directory of Open Access Journals (Sweden)

    İsmail Tosun

    2012-03-01

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

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

    Science.gov (United States)

    Tosun, Ismail

    2012-03-01

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

  9. A macroscopic approach to creating exotic matter

    OpenAIRE

    Ridgely, C. T.

    2000-01-01

    Herein the Casimir effect is used to present a simple macroscopic view on creating exotic matter. The energy arising between two nearly perfectly conducting parallel plates is shown to become increasingly negative as the plate separation is reduced. It is proposed that the Casimir energy appears increasingly negative simply because the vacuum electromagnetic zero-point field performs positive work in pushing the plates together, transforming field energy into kinetic energy of the plates. Nex...

  10. Estimation of Kinetic Parameters for Enzyme Catalysed Batch Bioreactor for the Production of Ethanol from Corn

    Directory of Open Access Journals (Sweden)

    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.

  11. REMOVAL OF BORON USING CLAY-EFFECT OF PROCESS PARAMETERS,KINETIC AND ISOTHERM STUDIES

    Directory of Open Access Journals (Sweden)

    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.

  12. Removal of methylene blue by adsorption on aluminosilicate waste: equilibrium, kinetic and thermodynamic parameters.

    Science.gov (United States)

    Policiano Almeida, Carlos Alberto; Zanela, Tânia Marina Palhano; Machado, Clodoaldo; Altamirano Flores, Juan Antônio; Scheibe, Luiz Fernando; Hankins, Nicholas P; Debacher, Nito Angelo

    2016-11-01

    An aluminosilicate waste (AW) was investigated as adsorbent for methylene blue (MB) dye. AW was characterized by petrography, X-ray diffractometry, X-ray fluorescence, scanning electron microscopy, thermogravimetry and zeta potential measurements. It was found that AW contains kaolinite, and other minor components such as quartz, muscovite, smectite, siderite, pyrite and organic compounds. The chemical composition of AW is mainly SiO2 (49%) and Al2O3 (23%) and it has negative superficial charge above pH 1.73. Adsorption of MB dye was studied in a batch system under different conditions of initial dye concentration, contact time and temperature. The isothermal data from batch experiments were fitted to Langmuir and Freundlich equations, with a better fit shown by the Langmuir isotherm equation. Also, pseudo-first-order, pseudo-second-order and intraparticle diffusion models were considered to evaluate the rate parameters. The experimental data fitted the pseudo-first-order kinetic model best. Thermodynamic parameters were calculated, showing the adsorption to be an endothermic yet spontaneous process, with the activation energy of +37.8 kJ mol(-1). The results indicate that AW adsorbs MB efficiently, and can be employed as a low-cost alternative in wastewater treatment for the removal of cationic dyes.

  13. The basal kinetic parameters of glycogen synthase in human myotube cultures are not affected by chronic high insulin exposure

    DEFF Research Database (Denmark)

    Gaster, M; Schrøder, H D; Handberg, A

    2001-01-01

    There is no consensus regarding the results from in vivo and in vitro studies on the impact of chronic high insulin and/or high glucose exposure on acute insulin stimulation of glycogen synthase (GS) kinetic parameters in human skeletal muscle. The aim of this study was to evaluate the kinetic...... parameters of glycogen synthase activity in human myotube cultures at conditions of chronic high insulin combined or not with high glucose exposure, before and after a subsequent acute insulin stimulation. Acute insulin stimulation significantly increased the fractional activity (FV(0.1)) of GS, increased...

  14. Kinetic parameter determination of roasted and unroasted argan oil oxidation under Rancimat test conditions

    Directory of Open Access Journals (Sweden)

    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

  15. Computer controlled automated assay for comprehensive studies of enzyme kinetic parameters.

    Directory of Open Access Journals (Sweden)

    Felix Bonowski

    Full Text Available Stability and biological activity of proteins is highly dependent on their physicochemical environment. The development of realistic models of biological systems necessitates quantitative information on the response to changes of external conditions like pH, salinity and concentrations of substrates and allosteric modulators. Changes in just a few variable parameters rapidly lead to large numbers of experimental conditions, which go beyond the experimental capacity of most research groups. We implemented a computer-aided experimenting framework ("robot lab assistant" that allows us to parameterize abstract, human-readable descriptions of micro-plate based experiments with variable parameters and execute them on a conventional 8 channel liquid handling robot fitted with a sensitive plate reader. A set of newly developed R-packages translates the instructions into machine commands, executes them, collects the data and processes it without user-interaction. By combining script-driven experimental planning, execution and data-analysis, our system can react to experimental outcomes autonomously, allowing outcome-based iterative experimental strategies. The framework was applied in a response-surface model based iterative optimization of buffer conditions and investigation of substrate, allosteric effector, pH and salt dependent activity profiles of pyruvate kinase (PYK. A diprotic model of enzyme kinetics was used to model the combined effects of changing pH and substrate concentrations. The 8 parameters of the model could be estimated from a single two-hour experiment using nonlinear least-squares regression. The model with the estimated parameters successfully predicted pH and PEP dependence of initial reaction rates, while the PEP concentration dependent shift of optimal pH could only be reproduced with a set of manually tweaked parameters. Differences between model-predictions and experimental observations at low pH suggest additional protonation

  16. Kinetic parameters for nutrient enhanced crude oil biodegradation in intertidal marine sediments

    Directory of Open Access Journals (Sweden)

    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

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

    Directory of Open Access Journals (Sweden)

    Ruth Alfaro-Cuevas-Villanueva

    2014-01-01

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

  18. Sorption of selenate on soils and pure phases: kinetic parameters and stabilisation

    Energy Technology Data Exchange (ETDEWEB)

    Loffredo, N. [Institut de Radioprotection et Surete Nucleaire (IRSN), DEI/SECRE/Laboratoire de Radioecologie et d' Ecotoxicologie, Cadarache, Bat 186, BP3, 13115 Saint-Paul-lez-Durance Cedex (France); Mounier, S. [Laboratoire PROTEE, Universite du Sud Toulon-Var, BP 20132, La Garde 83957 (France); Thiry, Y. [Agence Nationale pour la gestion des Dechets Radioactifs (Andra), Parc de la Croix Blanche, 1/7 rue Jean Monnet, 92298 Chatenay-Malabry Cedex (France); Coppin, F., E-mail: frederic.coppin@irsn.fr [Institut de Radioprotection et Surete Nucleaire (IRSN), DEI/SECRE/Laboratoire de Radioecologie et d' Ecotoxicologie, Cadarache, Bat 186, BP3, 13115 Saint-Paul-lez-Durance Cedex (France)

    2011-09-15

    This study was conducted to identify the principle selenate carrier phases for two selected soils, by comparing their reactivity with selenate to that of pure phases of the solids. Silica, calcium carbonate, aluminium hydroxide, goethite, bentonite and humic acid were selected as the main soil carrier phases. Comparisons were made first on the parameter values obtained with the best fit of a kinetic sorption model which can discriminate instantaneous sorption from kinetically limited sorption. Then comparisons were made of the ability for each solid to stabilise selenate by measuring the ratio of the partition coefficient for sorption (Kd{sub sorption}) over that of the desorption (Kd{sub desorption}). Kinetics and stabilisation were used to help elucidate the nature of interactions with the test solid phases for a large range of selenate concentrations. The experiments were conducted over 165 h in batch reactors, the solid being isolated from the solution by dialysis tubing, at two pH (5.4 and 8) and three selenate concentrations (1 x 10{sup -3}, 1 x 10{sup -6} and 1 x 10{sup -8} mol L{sup -1}). The results obtained showed that only aluminium hydroxide can sorb selenate throughout the studied pH range (pH 5.4 to 8.0). The sorption capacity on this mineral was high (Kd{sub sorption} > 100 to 1 x 10{sup 4} L kg{sup -1}) and the selenate was mainly stabilized by the formation of inner sphere complexes. The sorption on goethite occurred at pH 5.4 (Kd{sub sorption} 52 L kg{sup -1}), mainly as outer sphere complexes, and was null at pH 8. On silica, a weak sorption was observed only at pH 5.4 and at 165 h (Kd{sub sorption} 4 L kg{sup -1}). On bentonite, calcium carbonate and humic acid no significant sorption was observed. Concerning the two soils studied, different behaviours were observed for selenate. For soil Ro (pH 5.4), Kd{sub sorption} was low (8 L kg{sup -1}) compared to soil Bu (pH 8) (70 L kg{sup -1}). The sorption behaviour of selenate on soil Ro was mainly

  19. Entropy, Macroscopic Information, and Phase Transitions

    OpenAIRE

    Parrondo, Juan M. R.

    1999-01-01

    The relationship between entropy and information is reviewed, taking into account that information is stored in macroscopic degrees of freedom, such as the order parameter in a system exhibiting spontaneous symmetry breaking. It is shown that most problems of the relationship between entropy and information, embodied in a variety of Maxwell demons, are also present in any symmetry breaking transition.

  20. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics.

    Science.gov (United States)

    Hu, Qinghai; Xiao, Zhongjin; Xiong, Xinmei; Zhou, Gongming; Guan, Xiaohong

    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 Langmuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model, KS-kinetic, is theoretically equivalent to the adsorption constant in Langmuir 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 pH3.2 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-Langmuir were obtained. The values of KS-kinetic and KS-Langmuir 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.

  1. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics

    Institute of Scientific and Technical Information of China (English)

    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.

  2. Adsorption kinetic parameters of Fe3+ and Ni2+ ions by gyrolite

    Directory of Open Access Journals (Sweden)

    Kestutis Baltakys

    2015-03-01

    Full Text Available In this work the adsorption kinetic parameters for Fe3+ and Ni2+ ions by gyrolite are presented. Additionally, the adsoption mechanism was described by using pseudo first order and pseudo second order  equations. It was determined that the adsorption capacity of gyrolite and intrusion of heavy metals ions in its structure depends on reaction time and the pH value of adsorptive. It was observed that the incorporation of Fe3+ ions occurs more intensive than Ni2+ ions. It was found that in the acidic solution the intrusion of Fe3+ ions into gyrolite structure proceeds by two types of chemical reaction mechanisms: substitution and addition. Meanwhile, nickel ions were participated only in substitution reaction: gyrolite-Ca0 + Mex+ ↔ gyrolite-Me0 + Ca2+. It was observed that the pseudo second order model fit well for iron and nickel ions adsorption mechanism. It was estimated that the adsorption reactions are not reversible process and the crystal structure of gyrolite is stable. Moreover, synthetic adsorbent and the products of sorption were characterized by XRD, STA and FT-IR methods.DOI: http://dx.doi.org/10.5755/j01.ms.21.1.5735

  3. Methane oxidation in a landfill cover soil reactor: Changing of kinetic parameters and microorganism community structure.

    Science.gov (United States)

    Xing, Zhi L; Zhao, Tian T; Gao, Yan H; Yang, Xu; Liu, Shuai; Peng, Xu Y

    2017-02-23

    Changing of CH4 oxidation potential and biological characteristics with CH4 concentration was studied in a landfill cover soil reactor (LCSR). The maximum rate of CH4 oxidation reached 32.40 mol d(-1) m(-2) by providing sufficient O2 in the LCSR. The kinetic parameters of methane oxidation in landfill cover soil were obtained by fitting substrate diffusion and consumption model based on the concentration profile of CH4 and O2. The values of [Formula: see text] (0.93-2.29%) and [Formula: see text] (140-524 nmol kgsoil-DW(-1)·s(-1)) increased with CH4 concentration (9.25-20.30%), while the values of [Formula: see text] (312.9-2.6%) and [Formula: see text] (1.3 × 10(-5) to 9.0 × 10(-3) nmol mL(-1) h(-1)) were just the opposite. MiSeq pyrosequencing data revealed that Methylobacter (the relative abundance was decreased with height of LCSR) and Methylococcales_unclassified (the relative abundance was increased expect in H 80) became the key players after incubation with increasing CH4 concentration. These findings provide information for assessing CH4 oxidation potential and changing of biological characteristics in landfill cover soil.

  4. A study of line widths and kinetic parameters of ions in the solar corona

    CERN Document Server

    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...

  5. Determination of the kinetic parameters of the CALIBAN metallic core reactor from stochastic neutron measurements

    Energy Technology Data Exchange (ETDEWEB)

    Casoli, P.; Authier, N.; Chapelle, A. [Commissariat a l' Energie Atomique et Aux Energies Alternatives, CEA, DAM, F-21120 Is sur Tille (France)

    2012-07-01

    Several experimental devices are operated by the Criticality and Neutron Science Research Dept. of the CEA Valduc Laboratory. One of these is the Caliban metallic core reactor. The purpose of this study is to develop and perform experiments allowing to determinate some of fundamental kinetic parameters of the reactor. The prompt neutron decay constant and particularly its value at criticality can be measured with reactor noise techniques such as Rossi-{alpha} and Feynman variance-to-mean methods. Subcritical, critical, and even supercritical experiments were performed. Fission chambers detectors were put nearby the core and measurements were analyzed with the Rossi-{alpha} technique. A new value of the prompt neutron decay constant at criticality was determined, which allows, using the Nelson number method, new evaluations of the effective delayed neutron fraction and the in core neutron lifetime. As an introduction of this paper, some motivations of this work are given in part 1. In part 2, principles of the noise measurements experiments performed at the CEA Valduc Laboratory are reminded. The Caliban reactor is described in part 3. Stochastic neutron measurements analysis techniques used in this study are then presented in part 4. Results of fission chamber experiments are summarized in part 5. Part 6 is devoted to the current work, improvement of the experimental device using He 3 neutron detectors and first results obtained with it. Finally, conclusions and perspectives are given in part 7. (authors)

  6. The determination of the kinetic parameters of electrochemical reaction in chemical power sources: A critical review

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Yanhui; Wu, Jun; Li, Decheng; Zheng, Junwei [The Institute of Chemical Power Sources, Soochow (Suzhou) University, Suzhou 215006 (China); Chen, Ying [Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Str. 1, 40237 Duesseldorf (Germany); Ju, Hua [School of Urban Rail Transportation, Soochow (Suzhou) University, Ganjiang East Road 178, Suzhou 215021 (China)

    2010-06-15

    The derivation and proposal of major electrochemical techniques used to determine and calculate the electrochemical kinetic parameters is basically based on the electrochemical reaction taking place at liquid/solid or liquid/liquid interface in which all the reactants and products are soluble in liquid aqueous solution or liquid mercury electrode, or are volatile gas. Such electrochemical reaction system is classical and traditional (ERS1). Recently, the electrochemical behavior of some materials used as the active electrode materials in chemical power sources has attracted much attention. In chemical power source systems, either reactant or product, or both are insoluble. This kind of electrochemical reaction system (ERS2) is slightly different from ERS1. The application of these electrochemical techniques/equations to chemical power sources' system requires carefulness. The misuse of these electrochemical techniques can be easily found in the literatures and some of them even lead to a wrong conclusion. In this review, almost all the electrochemical techniques to measure the exchange current and diffusion coefficient were compiled for reference to the readers, including pulse step, electrochemical impedance, alternating cyclic voltammetry, etc. The necessary requirements/conditions to apply these techniques have been briefly discussed and some simple examples were also discussed for a better understanding. (author)

  7. Adsorption kinetic parameters of Fe3+ and Ni2+ ions by gyrolite

    Directory of Open Access Journals (Sweden)

    Kestutis Baltakys

    2015-03-01

    Full Text Available In this work the adsorption kinetic parameters for Fe3+ and Ni2+ ions by gyrolite are presented. Additionally, the adsoption mechanism was described by using pseudo first order and pseudo second order  equations. It was determined that the adsorption capacity of gyrolite and intrusion of heavy metals ions in its structure depends on reaction time and the pH value of adsorptive. It was observed that the incorporation of Fe3+ ions occurs more intensive than Ni2+ ions. It was found that in the acidic solution the intrusion of Fe3+ ions into gyrolite structure proceeds by two types of chemical reaction mechanisms: substitution and addition. Meanwhile, nickel ions were participated only in substitution reaction: gyrolite-Ca0 + Mex+ ↔ gyrolite-Me0 + Ca2+. It was observed that the pseudo second order model fit well for iron and nickel ions adsorption mechanism. It was estimated that the adsorption reactions are not reversible process and the crystal structure of gyrolite is stable. Moreover, synthetic adsorbent and the products of sorption were characterized by XRD, STA and FT-IR methods.DOI: http://dx.doi.org/10.5755/j01.ms.21.1.5735

  8. Effects of heating rate on slow pyrolysis behavior, kinetic parameters and products properties of moso bamboo.

    Science.gov (United States)

    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.

  9. Kinetic parameters and tissue distribution of 5-oxo-L-prolinase determined by a fluorimetric assay.

    Science.gov (United States)

    Weber, P; Jäger, M; Bangsow, T; Knell, G; Piechaczek, K; Koch, J; Wolf, S

    1999-01-13

    5-Oxo-L-prolinase (5-OPase) catalyses the hydrolysis of 5-oxo-L-proline to glutamate with concomitant stoichiometric cleavage of ATP to ADP, a reaction which is known to be part of the gamma-glutamyl cycle-an interrelated series of reactions involved in the synthesis and metabolism of glutathione. As recent studies indicate, this cyclic pathway plays a crucial role in the regulation of amino acid transport. Apparently, the intermediate product 5-oxo-L-proline functions as a second messenger molecule that upregulates the activity of certain amino acid transport systems. Thus, the degradation of 5-oxo-L-proline by 5-OPase leads to the downregulation of this stimulus. In this study, a new sensitive fluorimetric assay for 5-OPase activity was established which is based on the derivatization of glutamate with o-phthaldialdehyde in the presence of thiols and subsequent separation of the products by HPLC. The method is suitable for the screening of chromatography fractions as well as for the determination of the kinetic parameters Km and Vmax of purified 5-OPase. Additionally, it can be used for the measurement of enzyme activity in crude cell extracts and evaluation of tissue distribution.

  10. Kinetic parameters of biomass growth in a UASB reactor treating wastewater from coffee wet processing (WCWP

    Directory of Open Access Journals (Sweden)

    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.

  11. Estimating kinetic parameters from dynamic contrast-enhanced T(1)-weighted MRI of a diffusable tracer: standardized quantities and symbols

    DEFF Research Database (Denmark)

    Tofts, P.S.; Brix, G; Buckley, D.L.

    1999-01-01

    We describe a standard set of quantity names and symbols related to the estimation of kinetic parameters from dynamic contrast-enhanced T(1)-weighted magnetic resonance imaging data, using diffusable agents such as gadopentetate dimeglumine (Gd-DTPA). These include a) the volume transfer constant K...

  12. Analysis, evaluation, and optimization of kinetic parameters for performance appraisal and design of UASB reactors.

    Science.gov (United States)

    Bhunia, Puspendu; Ghangrekar, M M

    2008-05-01

    Studies have been undertaken to explore the applicability of different kinetic models for the performance appraisal of upflow anaerobic sludge blanket (UASB) reactors treating wastewater in the range of 300-4000 mg COD/l. Three kinetic models namely, Monod, Grau second-order, and Haldane model are considered for the analysis. Both linear and nonlinear regressions have been performed to examine the best-fit among the kinetic models. In this process, five error analysis methods have been used to analyze the data. Apart from optimization of kinetic coefficients with minimization of associated errors, prediction of effluent COD has also been undertaken to verify the applicability of kinetic models. In both the cases, Grau second-order model is found to be the best class of fit for wide range of data sets in UASB reactor.

  13. Macroscopic and microscopic observations of needle insertion into gels

    NARCIS (Netherlands)

    Veen, van Youri R.J.; Jahya, Alex; Misra, Sarthak

    2012-01-01

    Needle insertion into soft tissue is one of the most common medical interventions. This study provides macroscopic and microscopic observations of needle–gel interactions. A gelatin mixture is used as a soft-tissue simulant. For the macroscopic studies, system parameters, such as insertion velocity,

  14. Macroscopic theory of dark sector

    CERN Document Server

    Meierovich, Boris E

    2013-01-01

    A simple Lagrangian with squared covariant divergence of a vector field as a kinetic term turned out an adequate tool for macroscopic description of the dark sector. The zero-mass field acts as the dark energy. Its energy-momentum tensor is a simple additive to the cosmological constant. Massive fields {\\phi}_{I} with {\\phi}^{K}{\\phi}_{K}0 describe two different forms of dark matter. The space-like ({\\phi}^{K}{\\phi}_{K}0) massive field displays repulsive elasticity. In balance with dark energy and ordinary matter it provides a four parametric diversity of regular solutions of the Einstein equations describing different possible cosmological and oscillating non-singular scenarios of evolution of the universe. In particular, the singular big bang turns into a regular inflation-like transition from contraction to expansion with the accelerate expansion at late times. The fine-tuned Friedman-Robertson-Walker singular solution is a particular limiting case at the boundary of existence of regular oscillating soluti...

  15. Comparisons of selected methods for the determination of kinetic parameters from electrothermal atomic absorption data

    Science.gov (United States)

    Fonseca, Rodney W.; Pfefferkorn, Lisa L.; Holcombe, James A.

    1994-12-01

    Three of the methods available for the determination of kinetic parameters for atom formation in ETAAS were compared. In the approach of mcnally and holcombe [ Anal. Chem. 59, 1015 (1987)], Arrhenius-type plots are used to extract activation energy values while an approximation of the order of release is obtained by studying the alignment of the absorption maxima at increasing analyte concentrations. In the method of rojas and olivares [ Spectrochim. Acta47B, 387 (1992)], plots are prepared for different orders of release, with the correct order yielding a longer linear region from whose slope the activation energy is calculated. The method of yan et al. [ Spectrochim. Acta48B, 605 (1993)] uses a single absorption profile for the calculations. Activation energy and the order of release are obtained from the slope and intercept, respectively, on their graph. All three methods assume linear heating rate, constant activation energies, and furnace isothermality. The methods were tested with the same experimental data sets for Cu, Au and Ni using a spatially isothermal cuvette. Since intensive mathematical treatments commonly have deleterious effects on the uncertainty of the final result, the methods were compared using both the original data and a smoothed version of it. In general, the three methods yielded comparable results for the metals studied. However, choosing the most linear plot to determine the correct order of release when using Rojas and Olivares' method was sometimes subjective, and McNally and Holcombe's method provided only estimates for the orders of release that were neither zero nor unity.

  16. Evaluation of mass-transfer and kinetic parameters for Rhodospirillum rubrum in a continuous stirred tank reactor

    Energy Technology Data Exchange (ETDEWEB)

    Klasson, K.T. (Oak Ridge National Lab., TN (United States)); Gupta, A.; Clausen, E.C.; Gaddy, J.L. (Univ. of Arkansas, Fayetteville, AR (United States))

    The photosynthetic bacterium Rhodospirillum rubrum has been evaluated for its ability to produce hydrogen from carbon monoxide and water in a continuous stirred tank reactor according to the water-gas shift reaction. An assessment of mass-transfer parameters and reaction kinetics was made for this sparingly soluble substrate system. Experiments were conducted in a nonsteady-state fashion with continuous liquid and gas flow, which allowed for separation of the mass-transfer and kinetic-limited regions. Based on the data obtained, mass-transfer coefficients for the system were determined, and a mathematical expression for the reaction kinetics was formulated. The results showed that the hydrogen production was inhibited by elevated levels of dissolved carbon monoxide in the liquid. 8 refs., 4 figs., 1 tab.

  17. Covariant Macroscopic Quantum Geometry

    CERN Document Server

    Hogan, Craig J

    2012-01-01

    A covariant noncommutative algebra of position operators is presented, and interpreted as the macroscopic limit of a geometry that describes a collective quantum behavior of the positions of massive bodies in a flat emergent space-time. The commutator defines a quantum-geometrical relationship between world lines that depends on their separation and relative velocity, but on no other property of the bodies, and leads to a transverse uncertainty of the geometrical wave function that increases with separation. The number of geometrical degrees of freedom in a space-time volume scales holographically, as the surface area in Planck units. Ongoing branching of the wave function causes fluctuations in transverse position, shared coherently among bodies with similar trajectories. The theory can be tested using appropriately configured Michelson interferometers.

  18. The macroscopic pancake bounce

    Science.gov (United States)

    Andersen Bro, Jonas; Sternberg Brogaard Jensen, Kasper; Nygaard Larsen, Alex; Yeomans, Julia M.; Hecksher, Tina

    2017-01-01

    We demonstrate that the so-called pancake bounce of millimetric water droplets on surfaces patterned with hydrophobic posts (Liu et al 2014 Nat. Phys. 10 515) can be reproduced on larger scales. In our experiment, a bed of nails plays the role of the structured surface and a water balloon models the water droplet. The macroscopic version largely reproduces the features of the microscopic experiment, including the Weber number dependence and the reduced contact time for pancake bouncing. The scalability of the experiment confirms the mechanisms of pancake bouncing, and allows us to measure the force exerted on the surface during the bounce. The experiment is simple and inexpensive and is an example where front-line research is accessible to student projects.

  19. Comparison of Parameter Estimations Using Dual-Input and Arterial-Input in Liver Kinetic Studies of FDG Metabolism.

    Science.gov (United States)

    Cui, Yunfeng; Bai, Jing

    2005-01-01

    Liver kinetic study of [18F]2-fluoro-2-deoxy-D-glucose (FDG) metabolism in human body is an important tool for functional modeling and glucose metabolic rate estimation. In general, the arterial blood time-activity curve (TAC) and the tissue TAC are required as the input and output functions for the kinetic model. For liver study, however, the arterial-input may be not consistent with the actual model input because the liver has a dual blood supply from the hepatic artery (HA) and the portal vein (PV) to the liver. In this study, the result of model parameter estimation using dual-input function is compared with that using arterial-input function. First, a dynamic positron emission tomography (PET) experiment is performed after injection of FDG into the human body. The TACs of aortic blood, PV blood, and five regions of interest (ROIs) in liver are obtained from the PET image. Then, the dual-input curve is generated by calculating weighted sum of both the arterial and PV input curves. Finally, the five liver ROIs' kinetic parameters are estimated with arterial-input and dual-input functions respectively. The results indicate that the two methods provide different parameter estimations and the dual-input function may lead to more accurate parameter estimation.

  20. Canonical quantization of macroscopic electromagnetism

    Energy Technology Data Exchange (ETDEWEB)

    Philbin, T G, E-mail: tgp3@st-andrews.ac.u [School of Physics and Astronomy, University of St Andrews, North Haugh, St Andrews, Fife KY16 9SS (United Kingdom)

    2010-12-15

    Application of the standard canonical quantization rules of quantum field theory to macroscopic electromagnetism has encountered obstacles due to material dispersion and absorption. This has led to a phenomenological approach to macroscopic quantum electrodynamics where no canonical formulation is attempted. In this paper macroscopic electromagnetism is canonically quantized. The results apply to any linear, inhomogeneous, magnetodielectric medium with dielectric functions that obey the Kramers-Kronig relations. The prescriptions of the phenomenological approach are derived from the canonical theory.

  1. Canonical quantization of macroscopic electromagnetism

    CERN Document Server

    Philbin, T G

    2010-01-01

    Application of the standard canonical quantization rules of quantum field theory to macroscopic electromagnetism has encountered obstacles due to material dispersion and absorption. This has led to a phenomenological approach to macroscopic quantum electrodynamics where no canonical formulation is attempted. In this paper macroscopic electromagnetism is canonically quantized. The results apply to any linear, inhomogeneous, magnetoelectric medium with dielectric functions that obey the Kramers-Kronig relations. The prescriptions of the phenomenological approach are derived from the canonical theory.

  2. Determination of char combustion kinetics parameters: Comparison of point detector and imaging-based particle-sizing pyrometry

    Science.gov (United States)

    Schiemann, Martin; Geier, Manfred; Shaddix, Christopher R.; Vorobiev, Nikita; Scherer, Viktor

    2014-07-01

    In this study, the char burnout characteristics of two German coals (a lignite and a high-volatile bituminous coal) were investigated using two different experimental configurations and optical techniques in two distinct laboratories for measurement of temperature and size of burning particles. The optical diagnostic hardware is quite different in the two systems, but both perform two-color pyrometry and optical sizing measurements on individual particles burning in isolation from each other in high-temperature laminar flows to characterize the char consumption kinetics. The performance of the specialized systems is compared for two different combustion atmospheres (with 6.6 and 12 vol.% O2) and gas temperatures between 1700 and 1800 K. The measured particle temperatures and diameters are converted to char burning rate parameters for several residence times during the course of the particles' burnout. The results confirm that comparable results are obtained with the two configurations, although higher levels of variability in the measured data were observed in the imaging-based pyrometer setup. Corresponding uncertainties in kinetics parameters were larger, and appear to be more sensitive to systematic measurement errors when lower oxygen contents are used in the experiments. Consequently, burnout experiments in environments with sufficiently high O2 contents may be used to measure reliable char burning kinetics rates. Based on simulation results for the two coals, O2 concentrations in the range 10%-30% are recommended for kinetic rate measurements on 100 μm particles.

  3. Kinetic Parameters of Methane Generated from Source Rocks in the Kuqa Depression of Tarim Basin and Their Application

    Institute of Scientific and Technical Information of China (English)

    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%.

  4. Estimation of the kinetic parameters for thermal decomposition of HNIW and its adiabatic time-to-explosion by Kooij formula

    Institute of Scientific and Technical Information of China (English)

    Hong-xu GAO; Feng-qi ZHAO; Rong-zu HU; Hong-an ZHAO; Hai ZHANG

    2014-01-01

    A differential/integral method to estimate the kinetic parameters (apparent activation energy Ea and pre-exponential factor A) for thermal decomposition reaction of energetic materials based on Kooij formula are applied to study the nonisothermal decomposition reaction kinetics of hexanitrohexaazaisowurtzitane (HNIW) by analyzing nonisothermal DSC curve data. The apparent activation energy (Ea) obtained by the in-tegral isoconversional non-isothermal method based on Kooij formula is used to check the constancy and validity of apparent activation energy by the differential/integral method based on Kooij formula. The most probable mechanism function of thermal decomposition reaction of HNIW is determined by a logical choice method. The equations for calculating the critical temperatures of thermal explosion (Tb) and adiabatic time-to-explosion (tTIad) based on Kooij formula are used to calculate the values of Tb and tTIad to evaluate the thermal safety and heat-resistant ability of HNIW. All the original data needed for analyzing the kinetic parameters are from nonisothermal DSC curves. The results show that the kinetic model function in differential form and the values of Ea and A of decomposition reaction of HNIW are 3(1 ? a)[?ln(1 ? a)]2/3, 152.73 kJ mol?1 and 1011.97 s?1, respectively, and the values of self-accelerating decomposition temperature (TSADT), Tb and tTIad are 486.55 K, 493.11 K and 52.01 s, respectively.

  5. Chemical Characterization and Kinetic parameter determination under Rancimat test conditions of four monovarietal virgin olive oils grown in Morocco

    Directory of Open Access Journals (Sweden)

    Gharby Said

    2016-07-01

    Full Text Available The aim of the present investigation is to compare the chemical characterization of four monovarietal virgin olive oils obtained from fruits of olive trees grown in Morocco (Picholine, Picual, Arebiquine, Koroneiki with kinetic parameters of oxidation based on Rancimat measurements and finally to assess the oxidative stabilities. The examined oils from different varieties showed a chemical composition within the regulatory limits. Rancimat measurements of induction times were carried out under isothermal conditions in an air atmosphere at temperatures from 373 to 423 K with intervals of 10 K. Using the Arrhenius-type correlation between the inverse induction times and the absolute temperature of the measurements, Ea, Z, and k values for oil oxidation under Rancimat conditions were calculated. The primary kinetic parameters derived from this method were qualitatively consistent and help to evaluate the oxidative stabilities of oils at increased temperatures.

  6. Reproducibility of VPCT parameters in the normal pancreas: comparison of two different kinetic calculation models.

    Science.gov (United States)

    Kaufmann, Sascha; Schulze, Maximilian; Horger, Thomas; Oelker, Aenne; Nikolaou, Konstantin; Horger, Marius

    2015-09-01

    To assess the reproducibility of volume computed tomographic perfusion (VPCT) measurements in normal pancreatic tissue using two different kinetic perfusion calculation models at three different time points. Institutional ethical board approval was obtained for retrospective analysis of pancreas perfusion data sets generated by our prospective study for liver response monitoring to local therapy in patients experiencing unresectable hepatocellular carcinoma, which was approved by the institutional review board. VPCT of the entire pancreas was performed in 41 patients (mean age, 64.8 years) using 26 consecutive volume measurements and intravenous injection of 50 mL of iodinated contrast at a flow rate of 5 mL/s. Blood volume(BV) and blood flow (BF) were calculated using two mathematical methods: maximum slope + Patlak analysis versus deconvolution method. Pancreas perfusion was calculated using two volume of interests. Median interval between the first and the second VPCT was 2 days and between the second and the third VPCT 82 days. Variability was assessed with within-patient coefficients of variation (CVs) and Bland-Altman analyses. Interobserver agreement for all perfusion parameters was calculated using intraclass correlation coefficients (ICCs). BF and BV values varied widely by method of analysis as did within-patient CVs for BF and BV at the second versus the first VPCT by 22.4%/50.4% (method 1) and 24.6%/24.0% (method 2) measured in the pancreatic head and 18.4%/62.6% (method 1) and 23.8%/28.1% (method 2) measured in the pancreatic corpus and at the third versus the first VPCT by 21.7%/61.8% (method 1) and 25.7%/34.5% (method 2) measured also in the pancreatic head and 19.1%/66.1% (method 1) and 22.0%/31.8% (method 2) measured in the pancreatic corpus, respectively. Interobserver agreement measured with ICC shows fair-to-good reproducibility. VPCT performed with the presented examinational protocol is reproducible and can be used for monitoring

  7. Fourier domain closed-form formulas for estimation of kinetic parameters in reversible multi-compartment models

    Directory of Open Access Journals (Sweden)

    Zeng Gengsheng L

    2012-09-01

    Full Text Available Abstract Background Compared with static imaging, dynamic emission computed tomographic imaging with compartment modeling can quantify in vivo physiologic processes, providing useful information about molecular disease processes. Dynamic imaging involves estimation of kinetic rate parameters. For multi-compartment models, kinetic parameter estimation can be computationally demanding and problematic with local minima. Methods This paper offers a new perspective to the compartment model fitting problem where Fourier linear system theory is applied to derive closed-form formulas for estimating kinetic parameters for the two-compartment model. The proposed Fourier domain estimation method provides a unique solution, and offers very different noise response as compared to traditional non-linear chi-squared minimization techniques. Results The unique feature of the proposed Fourier domain method is that only low frequency components are used for kinetic parameter estimation, where the DC (i.e., the zero frequency component in the data is treated as the most important information, and high frequency components that tend to be corrupted by statistical noise are discarded. Computer simulations show that the proposed method is robust without having to specify the initial condition. The resultant solution can be fine tuned using the traditional iterative method. Conclusions The proposed Fourier-domain estimation method has closed-form formulas. The proposed Fourier-domain curve-fitting method does not require an initial condition, it minimizes a quadratic objective function and a closed-form solution can be obtained. The noise is easier to control, simply by discarding the high frequency components, and emphasizing the DC component.

  8. Influence of doping on the microstructure and kinetic parameters of GaSb-FeGa1.3 eutectics

    Science.gov (United States)

    Mamedov, I. Kh.; Ragimov, R. N.; Khalilova, A. A.; Arasly, D. G.; Aliev, M. I.

    2012-12-01

    Electron microscopy and X-ray spectroscopy analysis of GaSb-FeGa1.3 eutectic composite doped with tellurium atoms is performed. It is established that doping changes the GaSb-FeGa1.3 eutectics microstructure; sizes, shape, and density of FeGa1.3 metallic inclusions; and the interface regions between the matrix and inclusions. Influence of doping on the anisotropy of kinetic parameters is shown.

  9. Determination of kinetic parameters of 1,3-propanediol fermentation by Clostridium diolis using statistically optimized medium.

    Science.gov (United States)

    Kaur, Guneet; Srivastava, Ashok K; Chand, Subhash

    2012-09-01

    1,3-propanediol (1,3-PD) is a chemical compound of immense importance primarily used as a raw material for fiber and textile industry. It can be produced by the fermentation of glycerol available abundantly as a by-product from the biodiesel plant. The present study was aimed at determination of key kinetic parameters of 1,3-PD fermentation by Clostridium diolis. Initial experiments on microbial growth inhibition were followed by optimization of nutrient medium recipe by statistical means. Batch kinetic data from studies in bioreactor using optimum concentration of variables obtained from statistical medium design was used for estimation of kinetic parameters of 1,3-PD production. Direct use of raw glycerol from biodiesel plant without any pre-treatment for 1,3-PD production using this strain investigated for the first time in this work gave results comparable to commercial glycerol. The parameter values obtained in this study would be used to develop a mathematical model for 1,3-PD to be used as a guide for designing various reactor operating strategies for further improving 1,3-PD production. An outline of protocol for model development has been discussed in the present work.

  10. Thermal hydrocracking of indan. Effects of the hydrogen pressure on the kinetics and Arrhenius parameters

    NARCIS (Netherlands)

    Boven, van M.; Roskam, G.J.; Penninger, J.M.L.

    1975-01-01

    The kinetics of the thermal hydrocracking of indan were investigatedin a high-pressure flow reactor at temperatures from 470 to 530°C, total pressures of up to 300 atm, and molar ratios from 3 to 40. The effect of the hydrogen pressure was reflected especially in a change of the experimental rate eq

  11. Determination of Kinetic Parameters of Coal Pyrolysis to Simulate the Process of Underground Coal Gasification (UCG

    Directory of Open Access Journals (Sweden)

    Beata Urych

    2014-01-01

    Originality/value: The devolatilization of a homogenous lump of coal is a complex issue. Currently, the CFD technique (Computational Fluid Dynamics is commonly used for the multi-dimensional and multiphase phenomena modelling. The mathematical models, describing the kinetics of the decomposition of coal, proposed in the article can, therefore, be an integral part of models based on numerical fluid mechanics.

  12. How is the Monoclonal Antibodies Kinetic Affected by Changes of Their Physical Parameters?

    CERN Document Server

    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...

  13. Thermal hydrocracking of indan. Effects of the hydrogen pressure on the kinetics and Arrhenius parameters

    NARCIS (Netherlands)

    van Boven, M.; Roskam, G.J.; Penninger, J.M.L.

    1975-01-01

    The kinetics of the thermal hydrocracking of indan were investigatedin a high-pressure flow reactor at temperatures from 470 to 530°C, total pressures of up to 300 atm, and molar ratios from 3 to 40. The effect of the hydrogen pressure was reflected especially in a change of the experimental rate

  14. Modelling and simulation of a transketolase mediated reaction: Sensitivity analysis of kinetic parameters

    DEFF Research Database (Denmark)

    Sayar, N.A.; Chen, B.H.; Lye, G.J.

    2009-01-01

    In this paper we have used a proposed mathematical model, describing the carbon-carbon bond format ion reaction between beta-hydroxypyruvate and glycolaldehyde to synthesise L-erythrulose, catalysed by the enzyme transketolase, for the analysis of the sensitivity of the process to its kinetic par....... (C) 2009 Elsevier B.V. All rights reserved....

  15. Time of erythema onset after application of methyl nicotinate ointments as response parameter: influence of penetration kinetics and enhancing agents.

    Science.gov (United States)

    Remane, Y; Leopold, C S

    2006-01-01

    The time of erythema onset may be used as a response parameter for quantification of the cutaneous erythema response induced by methyl nicotinate. The vehicles light mineral oil (LMO; test) and medium chain triglycerides (MCT; standard) were compared with regard to the pharmacodynamic response. Moreover, the influence of penetration enhancers on the time of erythema onset was investigated under zero order penetration kinetics. The enhancers dimethyl sulfoxide, diethylene glycol monoethyl ether and three different glycerides in different concentrations were added to MCT as a standard vehicle. All preparations were applied to the forearms of volunteers under infinite dose conditions at different thermodynamic drug activity levels (0.2-3.2% of the saturation level) and different drug concentrations (0.051-0.816%), respectively. Different penetration kinetics do not influence data of erythema onset, as these data are comparable to those obtained under finite dose conditions (first order penetration kinetics). With regard to the penetration enhancers, a significantly enhanced penetration of methyl nicotinate could be observed only for diethylene glycol monoethyl ether and dimethyl sulfoxide. However, no significant difference between light mineral oil and MCT could be found with regard to penetration enhancement. The time of erythema onset is an easy and efficient parameter for quantification of the pharmacodynamic response caused by nicotinates.

  16. Combined Yamamoto approach for simultaneous estimation of adsorption isotherm and kinetic parameters in ion-exchange chromatography.

    Science.gov (United States)

    Rüdt, Matthias; Gillet, Florian; Heege, Stefanie; Hitzler, Julian; Kalbfuss, Bernd; Guélat, Bertrand

    2015-09-25

    Application of model-based design is appealing to support the development of protein chromatography in the biopharmaceutical industry. However, the required efforts for parameter estimation are frequently perceived as time-consuming and expensive. In order to speed-up this work, a new parameter estimation approach for modelling ion-exchange chromatography in linear conditions was developed. It aims at reducing the time and protein demand for the model calibration. The method combines the estimation of kinetic and thermodynamic parameters based on the simultaneous variation of the gradient slope and the residence time in a set of five linear gradient elutions. The parameters are estimated from a Yamamoto plot and a gradient-adjusted Van Deemter plot. The combined approach increases the information extracted per experiment compared to the individual methods. As a proof of concept, the combined approach was successfully applied for a monoclonal antibody on a cation-exchanger and for a Fc-fusion protein on an anion-exchange resin. The individual parameter estimations for the mAb confirmed that the new approach maintained the accuracy of the usual Yamamoto and Van Deemter plots. In the second case, offline size-exclusion chromatography was performed in order to estimate the thermodynamic parameters of an impurity (high molecular weight species) simultaneously with the main product. Finally, the parameters obtained from the combined approach were used in a lumped kinetic model to simulate the chromatography runs. The simulated chromatograms obtained for a wide range of gradient lengths and residence times showed only small deviations compared to the experimental data.

  17. Kinetic equations: computation

    CERN Document Server

    Pareschi, Lorenzo

    2013-01-01

    Kinetic equations bridge the gap between a microscopic description and a macroscopic description of the physical reality. Due to the high dimensionality the construction of numerical methods represents a challenge and requires a careful balance between accuracy and computational complexity.

  18. Evaluation of reaction mechanisms and the kinetic parameters for the transesterification of castor oil by liquid enzymes

    DEFF Research Database (Denmark)

    Andrade, Thalles Allan; Errico, Massimiliano; Christensen, Knud Villy

    2017-01-01

    The use of liquid enzymes for the production of biodiesel as an alternative to chemical catalysts requires significant investigation due to the lack of experimental data for the various feedstock and catalyst combinations. In this paper, reaction rates and kinetic modeling...... of the transesterification of castor oil with methanol using the enzyme Eversa® Transform as catalyst were investigated. Reactions were carried out for 8 hours at 35 °C with: an alcohol-to-oil molar ratio equal to 6:1, a 5 wt% of liquid enzyme solution and addition of 5 wt% of water by weight of castor oil. From...... methanolysis rates of glycerides obtained, indicated that transesterification dominates over hydrolysis. The mechanism among the four models proposed that gave the best fit could be simplified, eliminating the kinetic parameters with negligible effects on the reaction rates. This model was able to fit...

  19. Methods for calculating the kinetic parameters of carbonate decomposition from thermal analysis data

    Science.gov (United States)

    Artamonova, I. V.; Gorichev, I. G.; Lainer, Yu. A.; Godunov, E. B.; Kramer, S. M.; Terekhova, M. V.

    2016-07-01

    A procedure is proposed for an analysis of the data on the decomposition of inorganic carbonates (MgCO3, CaCO3, SrCO3, MnCO3, CoCO3) on the basis of results of thermogravimetric studies. The activation energy and the rate constant for carbonate decomposition are calculated taking into account the main points of the heterogeneous reaction kinetics. A comparative analysis of the obtained results is performed.

  20. Estimation of the kinetic parameters for thermal decomposition of HNIW and its adiabatic time-to-explosion by Kooij formula

    Directory of Open Access Journals (Sweden)

    Hong-xu Gao

    2014-03-01

    Full Text Available A differential/integral method to estimate the kinetic parameters (apparent activation energy Ea and pre-exponential factor A for thermal decomposition reaction of energetic materials based on Kooij formula are applied to study the nonisothermal decomposition reaction kinetics of hexanitrohexaazaisowurtzitane (HNIW by analyzing nonisothermal DSC curve data. The apparent activation energy (Ea obtained by the integral isoconversional non-isothermal method based on Kooij formula is used to check the constancy and validity of apparent activation energy by the differential/integral method based on Kooij formula. The most probable mechanism function of thermal decomposition reaction of HNIW is determined by a logical choice method. The equations for calculating the critical temperatures of thermal explosion (Tb and adiabatic time-to-explosion (tTIad based on Kooij formula are used to calculate the values of Tb and tTIad to evaluate the thermal safety and heat-resistant ability of HNIW. All the original data needed for analyzing the kinetic parameters are from nonisothermal DSC curves. The results show that the kinetic model function in differential form and the values of Ea and A of decomposition reaction of HNIW are 3(1 − α[−ln(1 − α]2/3, 152.73 kJ mol−1 and 1011.97 s−1, respectively, and the values of self-accelerating decomposition temperature (TSADT, Tb and tTIad are 486.55 K, 493.11 K and 52.01 s, respectively.

  1. Quantum equilibria for macroscopic systems

    Energy Technology Data Exchange (ETDEWEB)

    Grib, A [Department of Theoretical Physics and Astronomy, Russian State Pedagogical University, St. Petersburg (Russian Federation); Khrennikov, A [Centre for Mathematical Modelling in Physics and Cognitive Sciences Vaexjoe University (Sweden); Parfionov, G [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation); Starkov, K [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation)

    2006-06-30

    Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered.

  2. Reliability and Validity of Kinetic and Kinematic Parameters Determined With Force Plates Embedded Under Soil-Filled Baseball Mound.

    Science.gov (United States)

    Yanai, Toshimasa; Matsuo, Akifumi; Maeda, Akira; Nakamoto, Hiroki; Mizutani, Mirai; Kanehisa, Hiroaki; Fukunaga, Tetsuo

    2017-01-13

    We developed a force measurement system in a soil-filled mound for measuring ground reaction forces (GRFs) acting on baseball pitchers and examined the reliability and validity of kinetic and kinematic parameters determined from the GRFs. Three soil-filled trays of dimensions that satisfied the official baseball rules were fixed onto three force platforms. Eight collegiate pitchers wearing baseball shoes with metal cleats were asked to throw 5 fastballs with maximum effort from the mound toward a catcher. The reliability of each parameter was determined for each subject as the coefficient of variation across the 5 pitches. The validity of the measurements was tested by comparing the outcomes either with the true values or the corresponding values computed from a motion capture system. The coefficients of variation in the repeated measurements of the peak forces ranged from 0.00 to 0.17, and were smaller for the pivot foot than the stride foot. The mean absolute errors in the impulses determined over entire duration of pitching motion were 5.3 N·s, 1.9 N·s, and 8.2 N·s for the X-, Y-, and Z-directions, respectively. These results suggest that the present method is reliable and valid for determining selected kinetic and kinematic parameters for analyzing pitching performance.

  3. Model description and kinetic parameter analysis of MTBE biodegradation in a packed bed reactor

    DEFF Research Database (Denmark)

    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...

  4. Isolation of liver aldehyde oxidase containing fractions from different animals and determination of kinetic parameters for benzaldehyde

    Directory of Open Access Journals (Sweden)

    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.

  5. KINETICS AND EQUILIBRIUM PARAMETERS OF BIOSORPTION AND BIOACCUMULATION OF LEAD IONS FROM AQUEOUS SOLUTIONS BY TRICHODERMA LONGIBRACHIATUM

    Directory of Open Access Journals (Sweden)

    Enitan S. Balogun

    2012-04-01

    Full Text Available 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 process fitted well into pseudo second order kinetic model and was best explained by Langmuir isotherm.

  6. Effect of Temperature and pH on Formulating the Kinetic Growth Parameters and Lactic Acid Production of Lactobacillus bulgaricus

    Directory of Open Access Journals (Sweden)

    Marzieh Aghababaie

    2014-09-01

    Results: Second order model for Xmax, μmax, P and K was significant but product formation parameters were almost constant. The optimum values of temperature and pH for attaining maximum biomass, maximum specific growth rate, and maximum acid production were obtained at 44 °C and 5.7, respectively. Conclusions: The attained empirical mathematical correlations of RSM alongside the kinetic equations could be used to determine growth conditions under predefined temperature and pH in the fermentation process. Keywords: Lactobacillus bulgaricus, Richards model, Response surface methodology, Lactic acid production, Luedeking-Piret model

  7. Kinetic parameters of oscillating reaction of amino acid-BrO-3-Mn2+-H2SO4-acetone system

    Institute of Scientific and Technical Information of China (English)

    LI Zongxiao; YUAN Chunlan; NIE Fei

    2005-01-01

    The oscillating behavior of thirteen amino acids [leucine (Leu), threonine (Thr), arginine (Arg), lysine (Lys), histidine (His), alanine (Ala), glutamine (Glu), glycine (Gly), methionine (Met), cystine (Cys), tryptophan (Trp), serine (Ser) and tyrosine (Tyr)] in amino acid--Mn2+-H2SO4-acetone system is studied by using a potentiometric determination. With the help of the oscillatory induction period and oscillation period obtained by the oscillating wave, and Arrhenius equation, the kinetic parameters [the apparent activation energy (E) and pre-exponential constant (A)] and rate constant (k) of the above-mentioned oscillating reaction are estimated.

  8. Prediction of microbial growth rate versus biomass yield by a metabolic network with kinetic parameters.

    Science.gov (United States)

    Adadi, Roi; Volkmer, Benjamin; Milo, Ron; Heinemann, Matthias; Shlomi, Tomer

    2012-01-01

    Identifying the factors that determine microbial growth rate under various environmental and genetic conditions is a major challenge of systems biology. While current genome-scale metabolic modeling approaches enable us to successfully predict a variety of metabolic phenotypes, including maximal biomass yield, the prediction of actual growth rate is a long standing goal. This gap stems from strictly relying on data regarding reaction stoichiometry and directionality, without accounting for enzyme kinetic considerations. Here we present a novel metabolic network-based approach, MetabOlic Modeling with ENzyme kineTics (MOMENT), which predicts metabolic flux rate and growth rate by utilizing prior data on enzyme turnover rates and enzyme molecular weights, without requiring measurements of nutrient uptake rates. The method is based on an identified design principle of metabolism in which enzymes catalyzing high flux reactions across different media tend to be more efficient in terms of having higher turnover numbers. Extending upon previous attempts to utilize kinetic data in genome-scale metabolic modeling, our approach takes into account the requirement for specific enzyme concentrations for catalyzing predicted metabolic flux rates, considering isozymes, protein complexes, and multi-functional enzymes. MOMENT is shown to significantly improve the prediction accuracy of various metabolic phenotypes in E. coli, including intracellular flux rates and changes in gene expression levels under different growth rates. Most importantly, MOMENT is shown to predict growth rates of E. coli under a diverse set of media that are correlated with experimental measurements, markedly improving upon existing state-of-the art stoichiometric modeling approaches. These results support the view that a physiological bound on cellular enzyme concentrations is a key factor that determines microbial growth rate.

  9. Using the computerized glow curve deconvolution method and the R package tgcd to determination of thermoluminescence kinetic parameters of chilli powder samples by GOK model and OTOR one

    Science.gov (United States)

    Sang, Nguyen Duy; Van Hung, Nguyen; Van Hung, Tran; Hien, Nguyen Quoc

    2017-03-01

    The kinetic parameters of thermoluminescence (TL) glow peaks of chilli powder irradiated by gamma rays with the different doses of 0, 4 and 8 kGy have been calculated and estimate by computerized glow curve deconvolution (CGCD) method and the R package tgcd by using the TL glow curve data. The kinetic parameters of TL glow peaks (i.e. activation energies (E), order of kinetics (b), trapping and recombination probability coefficients (R) and frequency factors (s)) are fitted by modeled general-orders of kinetics (GOK) and one trap-one recombination (OTOR). The kinetic parameters of the chilli powder are different toward the difference of the sample time-storage, radiation doses, GOK model and OTOR one. The samples spending the shorter period of storage time have the smaller the kinetic parameters values than the samples spending the longer period of storage. The results obtained as comparing the kinetic parameters values of the three samples show that the value of non-irradiated samples are lowest whereas the 4 kGy irradiated-samples' value are greater than the 8 kGy irradiated-samples' one time.

  10. Influence of donor substrate on kinetic parameters of thiamine diphosphate binding to transketolase.

    Science.gov (United States)

    Ospanov, R V; Kochetov, G A; Kurganov, B I

    2007-01-01

    The two-step mechanism of interaction of thiamine diphosphate (ThDP) with transketolase (TK) has been studied: TK + ThDP TK...ThDP TK*-ThDP. The scheme involves the formation of inactive intermediate complex TK...ThDP followed by its transformation into catalytically active holoenzyme, TK*-ThDP. The dissociation and kinetic constants for individual stages of this process have been determined. The values of forward and backward rate constants change in the presence of the donor substrate hydroxypyruvate. This finally leads to an increase in the overall affinity of the coenzyme to TK.

  11. Study of reaction parameters and kinetics of esterification of lauric acid with butanol by immobilized Candida antarctica lipase.

    Science.gov (United States)

    Shankar, Sini; Agarwal, Madhu; Chaurasia, S P

    2013-12-01

    Esterification of lauric acid with n-butanol, catalyzed by immobilized Candida antarctica lipase (CAL) in aqueous-organic biphasic solvent system was studied. Effects of various reaction parameters on esterification were investigated, such as type and amount of solvent, amount of buffer, pH, temperature, speed of agitation, amount of enzyme, butanol and lauric acid. The most suitable reaction conditions for esterification were observed at 50 degrees C and pH 7.0 using 5000 micromoles of lauric acid, 7000 pmoles of butanol, 0.25 ml phosphate buffer, 1 ml of isooctane as the solvent and 50 mg of immobilized enzyme in the reaction medium at agitation speed of 150 rpm. Maximum esterification of 96.36% was acheived in 600 min of reaction time at n-butanol to lauric acid molar ratio of 1: 0.7. Kinetic study for the esterification of lauric acid with n-butanol using immobilized CAL was carried out and the kinetic constants were estimated by using non-linear regression method. The estimated value of Michaelis kinetic constants for butanol (KmBt) and acid (KmAc) were 451.56 (M) and 4.7 x 10(-7)(M), respectively and the value of dissociation constant (KBt) of the butanol-lipase complex was 9.41 x 10(7)(M). The estimated constants agreed fairly well with literature data.

  12. Degradation of carbofuran in aqueous solution by ultrasound and Fenton processes: Effect of system parameters and kinetic study.

    Science.gov (United States)

    Ma, Ying-Shih; Sung, Chi-Fanga; Lin, Jih-Gaw

    2010-06-15

    To establish an efficient oxidation process for carbofuran degradation, the effects of some operating parameters such as dosages of H(2)O(2), Fe(2+) and initial carbofuran concentrations were observed during carbofuran degradation by the ultrasound process, Fenton process and a combined ultrasound/Fenton process. The degradation kinetics of carbofuran was also examined based on the experimental data. The results show that more than 99% of the carbofuran was degraded by the ultrasound/Fenton process within short reaction time periods. Increased dosages of H(2)O(2) and Fe(2+) enhanced the degradation of carbofuran in the ultrasound and Fenton oxidation processes, but initial carbofuran concentrations decreased carbofuran degradation in both the Fenton and ultrasound/Fenton processes. The degradation kinetics of carbofuran by the three oxidation processes was found to be in accordance with first-order reaction kinetics. The results provide fundamental information about the treatment of carbofuran wastewater and/or other pesticides by the ultrasound/Fenton oxidation process.

  13. Kinetic approach and estimation of the parameters of cellular interaction between the immunity system and a tumor.

    Science.gov (United States)

    Kuznetsov, V A; Zhivoglyadov, V P; Stepanova, L A

    1993-01-01

    A method is suggested to estimate multi component dynamic systems, which permits, with the help of the computer-calculated kinetic curves, to obtain information about the possible mechanisms of the system component interaction. The method is based on the structural and parametrical identification of mathematical models presented in the form of a system of nonlinear differential equations, using a multi-criterial approach. Using experimental data of studies on growth kinetics and regression of multicellular tumor EMT6 line spheroids in the mouse allogenic system and the immune system cell accumulation in spheroids a mathematical model has been developed of the cellular interaction process in a spheroid. It has been stated that the rate of macrophage and neutrophil accumulation in a spheroid depends on the amount of tumor cells and is determined by the hyperbolic law (as analogous to the Michaelis-Menthen kinetics), while the accumulation of immune lymphocytes in a tumor is determined besides that by the three-cellular cooperation of lymphocytes, macrophages and tumor cells. According to the model, the inhibition of the process of neutrophil and lymphocyte (but not of macrophages) accumulation is realized through the auto-suppression mechanism. The numerical values of the process parameters, which characterise the rates of accumulation, cellular death in a tumor and of local cellular interactions intensity are obtained.

  14. The influence of estimated body segment parameters on predicted joint kinetics during diplegic cerebral palsy gait.

    Science.gov (United States)

    Kiernan, D; Walsh, M; O'Sullivan, R; O'Brien, T; Simms, C K

    2014-01-01

    Inverse Dynamic calculations are routinely used in joint moment and power estimates during gait with anthropometric data often taken from published sources. Many biomechanical analyses have highlighted the need to obtain subject-specific anthropometric data (e.g. Mass, Centre of Mass, Moments of Inertia) yet the types of imaging techniques required to achieve this are not always available in the clinical setting. Differences in anthropometric sets have been shown to affect the reactive force and moment calculations in normal subjects but the effect on a paediatric diplegic cerebral palsy group has not been investigated. The aim of this study was to investigate the effect of using different anthropometric sets on predicted sagittal plane moments during normal and diplegic cerebral palsy gait. Three published anthropometric sets were applied to the reactive force and moment calculations of 14 Cerebral Palsy and 14 Control subjects. Statistically significant differences were found when comparing the different anthropometric sets but variability in the resulting sagittal plane moment calculations between sets was low (0.01-0.07 Nm/kg). In addition, the GDI-Kinetic, used as an outcome variable to assess whether differences were clinically meaningful, indicated no clinically meaningful difference between sets. The results suggest that the effects of using different anthropometric sets on the kinetic profiles of normal and diplegic cerebral palsy subjects are clinically insignificant.

  15. Determination of the kinetic parameters of K{sub 2}YF{sub 5}:Tb from isothermal decay of thermoluminescence

    Energy Technology Data Exchange (ETDEWEB)

    Azorin, J. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada-IPN, Legaria 694 Col. Irrigacion, Mexico D.F. 11500 (Mexico); Universidad Autonoma Metropolitana-Iztapalapa, San Rafael Atlixco, 186 Col. Vicentina, Mexico D.F. 09340 (Mexico)], E-mail: azorin@xanum.uam.mx; Gallegos, A.; Rivera, T.; Azorin, J.C. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada-IPN, Legaria 694 Col. Irrigacion, Mexico D.F. 11500 (Mexico); Khaidukov, N. [Institute of General and Inorganic Chemistry, Lenin SK 11 Prospect 31, Moscow 117907 (Russian Federation)

    2007-09-21

    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 K{sub 2}YF{sub 5}: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.

  16. Estimation of biological kinetic parameters from an analysis of the BOD curve of waste waters - effects of a chemical preoxidation

    Energy Technology Data Exchange (ETDEWEB)

    Berlan, F.J.; Garcia-Araya, J.F.; Alvarez, P. [Universidad de Extremadura, Badajoz (Spain). Dept. de Ingenieria Quimica y Energetica

    1997-12-31

    Urban waste waters were treated with pure ozone or combinations of ozone, hydrogen peroxide and/or UV radiation to study the course of resulting BOD (biological oxygen demand)-time profiles and to propose a kinetic model. BOD-time profiles of chemically treated waste waters show an initial lag period that first order kinetic models cannot describe. A second order kinetic model is then proposed that satisfactorily fits experimental BOD-time profiles, except when hydrogen peroxide has been used. In these cases, BOD-time profiles present the highest lag periods observed. By applying this model, three parameters are determined: the biokinetic constant (k) which is an index of the biological removal rate; the potential amount of biodegradable matter (BOD{sub T}), and the measure of the size of inocula and microbial activities of microorganisms ({lambda}). The model was checked with experimental results of BOD-time profiles corresponding to both untreated and chemically ozonated urban waste waters. Ozonated waste waters showed the highest values of k and BOD{sub T}, which implies an improvement of waste water biodegradability after ozonation. However, values of {lambda} corrsponding to ozonated waste waters presented lower values than those of untreated waste waters. This was due to the lag period observed in the BOD-time profile, which was a consequence of a lack of micro-organism acclimation to ozonated waste waters. The effect of the ozone dose, pH and carbonates during oxonation on COD (chemical oxygen demand) and the above indicated parameters was also studies. The results suggest that ozonolysis, the direct molecular ozone way of reaction, due to its selective character, increases the biodegradability of waste water more than other chemically advancec oxidation processes based on hydroxyl radical reactions. (orig./SR)

  17. Adsorption of a cationic dye (Yellow Basic 28 ontothe calcined mussel shells: Kinetics, Isotherm and Thermodynamic Parameters

    Directory of Open Access Journals (Sweden)

    Imane EL Ouahabi

    2015-11-01

    Full Text Available The aim of this study is to valorise the mussel shells and evaluate the adsorption capacity of calcined mussel shells for the cationic dyes.  The adsorbent was characterized by DRX, FTIR, BET and SEM, respectively. The adsorption of Yellow Basic28 on calcined mussel shells was investigated using the parameters such as concentrations (10-50mg/L, pH (3-10, ionic strength (0-2 mol / L and temperature (288 - 318 °C.  The adsorption rate data were analysed according to the first and second-order kinetic models.  The adsorption kinetics was found to be best represented by the pseudo-second-order kinetic model.  The experimental isotherm data were analyzed using Langmuir, Freundlich, Temkin, Elovich and Dubinin–Radushkevich isotherm equations on the dye-adsorbent system. The experimental data yielded excellent fits with Freundlich isotherm equation (R² = 0.966. It was indicative of the heterogeneity of the adsorption sites on the CMS particles.  Various thermodynamic parameters such as enthalpy of adsorption ΔH°, free energy change ΔG°and entropy ΔS° were estimated.  The positive value of ΔH°(30.321 kJ/mol and negative values of ΔG° (from -5.392 to -2.873 kJ/mol show the process is endothermic and spontaneous.  The negative value of entropy ΔS° (-87.172 J/mol K suggest the decreased randomness at the solid-liquid interface during the adsorption of dyes onto calcined mussel shells.

  18. A benchmark on the calculation of kinetic parameters based on reactivity effect experiments in the CROCUS reactor

    Energy Technology Data Exchange (ETDEWEB)

    Paratte, J.M. [Laboratory for Reactor Physics and Systems Behaviour (LRS), Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Frueh, R. [Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Kasemeyer, U. [Laboratory for Reactor Physics and Systems Behaviour (LRS), Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Kalugin, M.A. [Kurchatov Institute, 123182 Moscow (Russian Federation); Timm, W. [Framatome-ANP, D-91050 Erlangen (Germany); Chawla, R. [Laboratory for Reactor Physics and Systems Behaviour (LRS), Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

    2006-05-15

    Measurements in the CROCUS reactor at EPFL, Lausanne, are reported for the critical water level and the inverse reactor period for several different sets of delayed supercritical conditions. The experimental configurations were also calculated by four different calculation methods. For each of the supercritical configurations, the absolute reactivity value has been determined in two different ways, viz.: (i) through direct comparison of the multiplication factor obtained employing a given calculation method with the corresponding value for the critical case (calculated reactivity: {rho} {sub calc}); (ii) by application of the inhour equation using the kinetic parameters obtained for the critical configuration and the measured inverse reactor period (measured reactivity: {rho} {sub meas}). The calculated multiplication factors for the reference critical configuration, as well as {rho} {sub calc} for the supercritical cases, are found to be in good agreement. However, the values of {rho} {sub meas} produced by two of the applied calculation methods differ appreciably from the corresponding {rho} {sub calc} values, clearly indicating deficiencies in the kinetic parameters obtained from these methods.

  19. [Molecular-kinetic parameters of thiamine enzymes and the mechanism of antivitamin action of hydroxythiamine in animal organisms].

    Science.gov (United States)

    Ostrovskiĭ KuM; Voskoboev, A I; Gorenshtenĭn, B I; Dosta, G A

    1979-09-01

    The molecula-kinetic parameters (Km, Ki) of three thiamine enzymes, e. g. thiamine pyrophosphokinase (EC 2.7.6.2), pyruvate dehydrogenase (EC 1.2.4.1) and transketolase (EC 2.2.1.1) with respect to the effects of the thiamine antimetabolite hydroxythiamine in the whole animal organism have been compared. It has been shown that only the first two enzymes, which interact competitively with the vitamin, antivitamin or their pyrophosphate ethers, obey the kinetic parameters obtained for the purified enzymes in vitro. The anticoenzymic effect of hydroxythiamine pyrophosphate with respect to transketolase is not observed in vivo at maximal concentration of the anticoenzyme in tissues due to the absence of competitive interactions with thiamine pyrophosphate. The incorporation of the true and false coenzymes into transketolase occurs only during de novo transketolase synthesis (the apoform is absent in tissues, with the exception of erythrocytes) and proceeds slowly with a half-life time equal to 24--30 hrs. After a single injection of hydroxythiamine at a large dose (70--400 mg/kg) the maximal inhibition of the transketolase activity in tissues (liver, heart, kidney, muscle, spleen, lungs adrenal grands) manifests itself by the 48th--72nd hour, when the concentration of free hydroxythiamine and its pyrophosphate is minimal and the whole anticoenzyme is tightly bound to the protein, forming the false holoenzyme. The use of hydroxythiamine for inhibition of pyruvate dehydrogenase or transketolase in animal organism is discussed.

  20. Temperature effects on kinetic parameters and substrate affinity of Cel7A cellobiohydrolases

    DEFF Research Database (Denmark)

    Sørensen, Trine Holst; Cruys-Bagger, Nicolaj; Windahl, Michael Skovbo

    2015-01-01

    Hypocrea jecorina and thermophilic Rasamsonia emersonii and two variants of these enzymes designed to elucidate the role of the carbohydrate binding module (CBM). We consistently found that the maximal rate increased strongly with temperature, whereas the affinity for the insoluble substrate decreased......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......, and as a result, the effect of temperature depended strongly on the substrate load. Thus, temperature had little or no effect on the hydrolytic rate in dilute substrate suspensions, whereas strong temperature activation (Q10 values up to 2.6) was observed at saturating substrate loads. The CBM had a dual effect...

  1. DETERMINATION OF THERMODYNAMIC AND KINETIC PARAMETERS OF LARGE SCALE CHROMATOGRAPHIC SEPARATION OF SUGAR AND REDUCING SUGAR

    Institute of Scientific and Technical Information of China (English)

    LiZhong; ShuWenli; 等

    1996-01-01

    The parameter identification model of large scale chromatography separation process is proposed.The phase equilibrium constants and lumped mass transfer coefficients of sugar and reducing sugar adsorption on D1,D2 and D3 resins as well as the axial dispersion coefficients of the fluid through packed columns are determined by means of the pulse-response experiment technique with an inert substance as a tracer and the chromatography measuring technique.The elution curve calculated from these parameters is good agreement with the experimental elution curve.The sensitivity analysis of these parameters is carried out ,and the result shows that the elution curves of chromatography separation are more sensitive to the variations of the phase equilibrium relationship than to the variation of the axial dispersion as well as the lumped mass transfer coefficients.

  2. Sensitivity analysis of large system of chemical kinetic parameters for engine combustion simulation

    Energy Technology Data Exchange (ETDEWEB)

    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.

  3. Treatment of biodiesel wastewater by adsorption with commercial chitosan flakes: parameter optimization and process kinetics.

    Science.gov (United States)

    Pitakpoolsil, Wipawan; Hunsom, Mali

    2014-01-15

    The possibility of using commercial chitosan flakes as an adsorbent for the removal of pollutants from biodiesel wastewater was evaluated. The effect of varying the adsorption time (0.5-5 h), initial wastewater pH (2-8), adsorbent dose (0.5-5.5 g/L) and mixing rate (120-350 rpm) on the efficiency of pollutant removal was explored by univariate analysis. Under the derived optimal conditions, greater than 59.3%, 87.9% and 66.2% of the biological oxygen demand (BOD), chemical oxygen demand (COD) and oil & grease, respectively, was removed by a single adsorption. Nevertheless, the remaining BOD, COD and oil & grease were still higher than the acceptable Thai government limits for discharge into the environment. When the treatment was repeated, a greater than 93.6%, 97.6% and 95.8% removal of the BOD, COD and oil & grease, respectively, was obtained. The reusability of commercial chitosan following NaOH washing (0.05-0.2 M) was not suitable, with less than 40% efficiency after just one recycling and declining rapidly thereafter. The adsorption kinetics of all pollutant types by the commercial chitosan flakes was controlled by a mixed process of diffusion and adsorption of the pollutants during the early treatment period (0-1.5 h) and then solely controlled by adsorption after 2 h. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Kinetic Parameters Estimation of MgO-C Refractory by Shrinking Core Model

    Institute of Scientific and Technical Information of China (English)

    B.Hashemi; Z.A.Nemati; S.K. Sadrnezhaad; Z.A.Moghimi

    2006-01-01

    Kinetics of oxidation of MgO-C refractories was investigated by shrinking core modeling of the gas-solid reactions taking place during heating the porous materials to the high temperatures. Samples containing 4.5~17 wt pct graphite were isothermally oxidized at 1000~1350℃. Weight loss data was compared with predictions of the model. A mixed 2-stage mechanism comprised of pore diffusion plus boundary layer gas transfer was shown to generally control the oxidation rate. Pore diffusion was however more effective, especially at graphite contents lower than 10 wt pct under forced convection blowing of the air. Model calculations showed that effective gas diffusion coefficients were in the range of 0.08 to 0.55 cm2/s. These values can be utilized to determine the corresponding tortuosity factors of 6.85 to 2.22. Activation energies related to the pore diffusion mechanism appeared to be around (46.4±2)kJ/mol. The estimated intermolecular diffusion coefficients were shown to be independent of the graphite content, when the percentage of the graphite exceeded a marginal value of 10.

  5. Immobilization of denatured DNA to macroporous supports: II. Steric and kinetic parameters of heterogeneous hybridization reactions.

    Science.gov (United States)

    Bünemann, H

    1982-11-25

    The accessibility of immobilized DNA has been shown to depend more crucially on the method of immobilization than on the type of support used for fixation. When sonicated denatured DNA is coupled via diazotization or via cyanogen bromide reaction to solid Sephadex G-25 and Cellex 410 or to macroporous Sephacryl S-500 and Sepharose C1-6B its accessibility varies from 100 to 24 percent. Generally the loss of accessibility is linked to a depression of the melting temperature of DNA helices formed on the support. This correlation shows a characteristic course for a particular coupling method. DNA coupled under denaturing conditions may become totally inaccessible when only 3 percent of its bases are involved in the covalent linkage. Kinetic experiments with sonicated E.coli DNA have shown that the rate constants for renaturation or hybridization reactions are very similar for DNA immobilized by different methods to solid or macroporous supports. Generally the second order rate constant for a heterogeneous reaction (between mobile and immobilized DNA) is about one order of magnitude smaller than that of the analogous homogeneous reaction (in solution).

  6. Ethylene vinyl acetate based radiation grafted hydrophilic matrices: Process parameter standardization, grafting kinetics and characterization

    Science.gov (United States)

    Chaudhari, C. V.; Mondal, R. K.; Dubey, K. A.; Grover, V.; Panicker, L.; Bhardwaj, Y. K.; Varshney, L.

    2016-08-01

    A transparent, elastomeric, grafted matrix for several potential applications was synthesized by single-step simultaneous radiation grafting of methacrylic acid onto ethylene vinyl acetate (EVA). CuSO4 was found to be the most suitable homo-polymerization inhibitor among different inhibitors tried. The grafting kinetics was found to be a strong function of dose rate (D) and monomer content (M) and an equation relating grafting rate Rg=Kg [M]1.13D0.23 was deduced. Crystallinity of the grafted matrices as assessed from XRD and DSC measurements indicated decrease in crystalline content with increase in grafting yield, suggesting crystalline domain of EVA get disrupted on grafting. Elastic modulus increased linearly with the increase in grafting yield, though elongation at break decreased precipitously from 900% to 30% at even ~9% grafting. Thermo-gravimetric analysis showed three step weight loss of the grafted EVA matrix. The grafting of MAA resulted in increase in surface energy mainly due to enhanced polar component.

  7. Macroscopic-microscopic mass models

    CERN Document Server

    Nix, J R; Nix, J Rayford; Moller, Peter

    1995-01-01

    We discuss recent developments in macroscopic-microscopic mass models, including the 1992 finite-range droplet model, the 1992 extended-Thomas-Fermi Strutinsky-integral model, and the 1994 Thomas-Fermi model, with particular emphasis on how well they extrapolate to new regions of nuclei. We also address what recent developments in macroscopic-microscopic mass models are teaching us about such physically relevant issues as the nuclear curvature energy, a new congruence energy arising from a greater-than-average overlap of neutron and proton wave functions, the nuclear incompressibility coefficient, and the Coulomb redistribution energy arising from a central density depression. We conclude with a brief discussion of the recently discovered rock of metastable superheavy nuclei near 272:110 that had been correctly predicted by macroscopic-microscopic models, along with a possible new tack for reaching an island near 290:110 beyond our present horizon.

  8. Visualization and Curve-Parameter Estimation Strategies for Efficient Exploration of Phenotype Microarray Kinetics

    Science.gov (United States)

    Vaas, Lea A. I.; Sikorski, Johannes; Michael, Victoria; Göker, Markus; Klenk, Hans-Peter

    2012-01-01

    Background The Phenotype MicroArray (OmniLog® PM) system is able to simultaneously capture a large number of phenotypes by recording an organism's respiration over time on distinct substrates. This technique targets the object of natural selection itself, the phenotype, whereas previously addressed ‘-omics’ techniques merely study components that finally contribute to it. The recording of respiration over time, however, adds a longitudinal dimension to the data. To optimally exploit this information, it must be extracted from the shapes of the recorded curves and displayed in analogy to conventional growth curves. Methodology The free software environment R was explored for both visualizing and fitting of PM respiration curves. Approaches using either a model fit (and commonly applied growth models) or a smoothing spline were evaluated. Their reliability in inferring curve parameters and confidence intervals was compared to the native OmniLog® PM analysis software. We consider the post-processing of the estimated parameters, the optimal classification of curve shapes and the detection of significant differences between them, as well as practically relevant questions such as detecting the impact of cultivation times and the minimum required number of experimental repeats. Conclusions We provide a comprehensive framework for data visualization and parameter estimation according to user choices. A flexible graphical representation strategy for displaying the results is proposed, including 95% confidence intervals for the estimated parameters. The spline approach is less prone to irregular curve shapes than fitting any of the considered models or using the native PM software for calculating both point estimates and confidence intervals. These can serve as a starting point for the automated post-processing of PM data, providing much more information than the strict dichotomization into positive and negative reactions. Our results form the basis for a freely

  9. Visualization and curve-parameter estimation strategies for efficient exploration of phenotype microarray kinetics.

    Directory of Open Access Journals (Sweden)

    Lea A I Vaas

    Full Text Available BACKGROUND: The Phenotype MicroArray (OmniLog® PM system is able to simultaneously capture a large number of phenotypes by recording an organism's respiration over time on distinct substrates. This technique targets the object of natural selection itself, the phenotype, whereas previously addressed '-omics' techniques merely study components that finally contribute to it. The recording of respiration over time, however, adds a longitudinal dimension to the data. To optimally exploit this information, it must be extracted from the shapes of the recorded curves and displayed in analogy to conventional growth curves. METHODOLOGY: The free software environment R was explored for both visualizing and fitting of PM respiration curves. Approaches using either a model fit (and commonly applied growth models or a smoothing spline were evaluated. Their reliability in inferring curve parameters and confidence intervals was compared to the native OmniLog® PM analysis software. We consider the post-processing of the estimated parameters, the optimal classification of curve shapes and the detection of significant differences between them, as well as practically relevant questions such as detecting the impact of cultivation times and the minimum required number of experimental repeats. CONCLUSIONS: We provide a comprehensive framework for data visualization and parameter estimation according to user choices. A flexible graphical representation strategy for displaying the results is proposed, including 95% confidence intervals for the estimated parameters. The spline approach is less prone to irregular curve shapes than fitting any of the considered models or using the native PM software for calculating both point estimates and confidence intervals. These can serve as a starting point for the automated post-processing of PM data, providing much more information than the strict dichotomization into positive and negative reactions. Our results form the basis

  10. Real time kinetic flow cytometry measurements of cellular parameter changes evoked by nanosecond pulsed electric field.

    Science.gov (United States)

    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.

  11. The quantum interaction of macroscopic objects and gravitons

    Science.gov (United States)

    Piran, Tsvi

    2016-09-01

    Copious production of gravitational radiation requires a compact source that moves relativistically. Such sources are rare and are found only in extreme cases such as the formation of a black hole in either via a gravitational collapse or via a merger. Noncompact, nonrelativistic objects emit gravitational radiation, however, this emission is extremely weak due to very large value of the Planck energy. The quantum nature of gravitons, namely the fact that a single graviton carries energy of order ℏω implies that macroscopic objects whose kinetic energy is less than the Planck energy emit gravitons quantum mechanically, emitting a single graviton at a time. This is a unique situation in which a macroscopic object behaves quantum mechanically. While it is impossible to check experimentally this quantum gravitational effect, it might be possible to carry out analogous electromagnetic experiments that will shed light on this macroscopic quantum mechanical behavior.

  12. Evaluation of Kinetic and Thermodynamic Parameters of 1, 1’-Dibenzoylferrocene in Methanol by Cyclic Voltammetry

    Directory of Open Access Journals (Sweden)

    1I. I. Naqvi

    2012-12-01

    Full Text Available The electrochemical Kinetic study of 1, 1′- Dibenzoylferrocene (DBF at a platinum working electrode in 0.1 mol dm-3 NaClO4 non aqueous medium has been studied by Cyclicvoltammetry. The heterogeneous electron transfer rate constants (ks and the diffusion coefficients (Do of DBF were estimated at various temperatures (283 – 323 K and at different scan rates (0.05 – 0.5 V s-1. A calibration curve, linear over the range of 1x10-3 – 9x10-3 mol dm-3, was plotted at the scan rate of 0.25 Vs-1. This plot can be used to analyze an unknown sample of the compound. The kinetic data was also used to evaluate the Activation energy (Ea. The thermodynamic parameters such as enthalpy change of activation (ΔH*, Entropy change (ΔS* and Gibbs free energy change (ΔG* were also investigated during the study.

  13. Removal of Anionic Dyes from Water by Potash Alum Doped Polyaniline: Investigation of Kinetics and Thermodynamic Parameters of Adsorption.

    Science.gov (United States)

    Patra, Braja N; Majhi, Deola

    2015-06-25

    Polyaniline was synthesized by the oxidative polymerization method by using ammonium persulfate as an oxidant. The positive charge in the backbone of the polymer was generated by using Potash alum as a dopant. Scanning electron microscopy (SEM), Fourier transform infrared (FTIR), X-ray fluorescence (XRF), and X-ray diffraction (XRD) techniques were used for characterization of doped polyaniline. The doped polyaniline can be used for selective adsorption of various dyes (selectively sulfonated dyes) from aqueous solution. Adsorption studies regarding the effect of contact time, initial dye concentration, pH, doses of adsorbent, and temperature on adsorption kinetics were investigated. The influence of other anions like Cl(-), NO3(-), and SO4(2-) on the adsorption density of dyes onto doped polyaniline was also explored. Langmuir isotherm and pseudo-second-order kinetics were found to be the most appropriate models to describe the removal of anionic dyes from water through adsorption. Thermodynamic parameters such as free energy (ΔG(0)), enthalpy (ΔH(0)), and entropy (ΔS(0)) changes were also evaluated. The interaction of dyes with doped polyaniline was also investigated by FTIR and UV spectroscopy.

  14. Oxidation pathways for ozonation of azo dyes in a semi-batch reactor: a kinetic parameters approach.

    Science.gov (United States)

    Lopez, A; Benbelkacem, H; Pic, J S; Debellefontaine, H

    2004-03-01

    In this study ozone and the H2O2/O3 oxidation system are used to decolorize aqueous solutions of Orange II (Or-II) and Acid Red 27 (AR-27). Investigations are carried out in a semi-batch bubble column reactor. A system of series-parallel reactions is proposed to describe the mechanism of dye oxidation. The stoichiometric ratio for the first reaction is found to be 1 mol dye per mol O3, while the overall ozone demand for both reactions one and two is found to be 5 and 6 moles for Or-II and AR-27 respectively. Molecular and radical kinetics are compared: a radical scavenger, t-butanol, can be added to ensure only the molecular reaction of ozone, or hydrogen peroxide can be supplied through a peristaltic pump, to initiate radical reactivity. Results reveal that colour removal is ensured by direct ozone attack. For both dyes, TOC removal efficiencies of 50 - 60 % are obtained by the action of the hydroxyl free radical. However, this is not improved by addition of H2O2, thus demonstrating that organic species alone ensure HO degrees radical production during ozonation. Both the mass transfer and the ozone reactivity with the dyes are considered to evaluate the kinetic parameters for the molecular pathway.

  15. Determination of kinetic and thermodynamic parameters that describe isothermal seed germination: A student research project

    Science.gov (United States)

    Hageseth, Gaylord T.

    1982-02-01

    Students under the supervision of a faculty member can collect data and fit the data to the theoretical mathematical model that describes the rate of isothermal seed germination. The best-fit parameters are interpreted as an initial substrate concentration, product concentration, and the autocatalytic reaction rate. The thermodynamic model enables one to calculate the activation energy for the substrate and product, the activation energy for the autocatalytic reaction, and changes in enthalpy, entropy, and the Gibb's free energy. Turnip, lettuce, soybean, and radish seeds have been investigated. All data fit the proposed model.

  16. Optimizing the modified microdosimetric kinetic model input parameters for proton and 4He ion beam therapy application

    Science.gov (United States)

    Mairani, A.; Magro, G.; Tessonnier, T.; Böhlen, T. T.; Molinelli, S.; Ferrari, A.; Parodi, K.; Debus, J.; Haberer, T.

    2017-06-01

    Models able to predict relative biological effectiveness (RBE) values are necessary for an accurate determination of the biological effect with proton and 4He ion beams. This is particularly important when including RBE calculations in treatment planning studies comparing biologically optimized proton and 4He ion beam plans. In this work, we have tailored the predictions of the modified microdosimetric kinetic model (MKM), which is clinically applied for carbon ion beam therapy in Japan, to reproduce RBE with proton and 4He ion beams. We have tuned the input parameters of the MKM, i.e. the domain and nucleus radii, reproducing an experimental database of initial RBE data for proton and He ion beams. The modified MKM, with the best fit parameters obtained, has been used to reproduce in vitro cell survival data in clinically-relevant scenarios. A satisfactory agreement has been found for the studied cell lines, A549 and RENCA, with the mean absolute survival variation between the data and predictions within 2% and 5% for proton and 4He ion beams, respectively. Moreover, a sensitivity study has been performed varying the domain and nucleus radii and the quadratic parameter of the photon response curve. The promising agreement found in this work for the studied clinical-like scenarios supports the usage of the modified MKM for treatment planning studies in proton and 4He ion beam therapy.

  17. Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenase

    Science.gov (United States)

    Szaleniec, Maciej; Witko, Małgorzata; Tadeusiewicz, Ryszard; Goclon, Jakub

    2006-03-01

    Artificial neural networks (ANNs) are used for classification and prediction of enzymatic activity of ethylbenzene dehydrogenase from EbN1 Azoarcus sp. bacterium. Ethylbenzene dehydrogenase (EBDH) catalyzes stereo-specific oxidation of ethylbenzene and its derivates to alcohols, which find its application as building blocks in pharmaceutical industry. ANN systems are trained based on theoretical variables derived from Density Functional Theory (DFT) modeling, topological descriptors, and kinetic parameters measured with developed spectrophotometric assay. Obtained models exhibit high degree of accuracy (100% of correct classifications, correlation between predicted and experimental values of reaction rates on the 0.97 level). The applicability of ANNs is demonstrated as useful tool for the prediction of biochemical enzyme activity of new substrates basing only on quantum chemical calculations and simple structural characteristics. Multi Linear Regression and Molecular Field Analysis (MFA) are used in order to compare robustness of ANN and both classical and 3D-quantitative structure-activity relationship (QSAR) approaches.

  18. Biodegradation of malathion and evaluation of kinetic parameters using three bacterial species

    Directory of Open Access Journals (Sweden)

    S.R. Geed

    2016-12-01

    Full Text Available Efficacy of three different bacterial species for biodegradation of malathion and its secondary products have been investigated. The concentration range of malathion under investigation was 25–200 mg⋅L−1. It has been observed that Pseudomonas putida was found to be most efficient for degradation of malathion. The removal of malathion was 72% at its concentration of 125 mg⋅L−1. The optimum parameters were studied for all three bacterial species in batch mode. The average values of Ks and μmax were obtained for all these species for degradation of malathion. Results indicate that P. putida has high degradation potential than Rhodoccocus rhodochrous and Sphingomonas sp. The degradation of P. putida was maximum at concentration of 125 mg⋅L−1, pH and temperature at 7 ± 0.2, 80 °C respectively. Metabolites were obtained using GCMS analysis.

  19. Estimation of Hoffman-Lauritzen parameters from nonisothermal crystallization kinetics of PET/MWCNT nanocomposites

    Science.gov (United States)

    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.

  20. Dosimetric and kinetic parameters of lithium cadmium borate glasses doped with rare earth ions

    Directory of Open Access Journals (Sweden)

    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.

  1. Magnetic Properties and Kinetics Parameters of Electroless Magnetic Loss CoFeB Films

    Institute of Scientific and Technical Information of China (English)

    LIU Chang-hui; HE Hua-hui; SHEN Xiang; LI Hai-hua

    2008-01-01

    Electroless CoFeB films with good soft magnetic properties were fabricated on polyester plastic substrate from sodium tartarate as a complexing agent. The plating rate of electroless CoFeB films is a function of concentration of sodium tetrahydroborate, pH of the plating bath, plating temperature and the metallic ratio. The estimated regression coefficient b0-b3 confidence interval, residual error r and confidence interval rint were confirmed by a computer program. The optimal composition of the plating bath was obtained and the dynamic electromagnetic parameters of films were measured in the 2-10 GHz range. At 2 GHz, the μ′, μ″ of the electroless CoFeB films were 304 and 76.6, respectively, as the concentration of reducer is 1 g/L. Magnetic hysteresis loop of the deposited CoFeB films show a remanence close to the saturation magnetization and coercivity of about 55.7-127.4 A/m. The loops along the hard axis display low anisotropic field Hk of 2 388-3 582 A/m.

  2. Degradation of atenolol by UV/peroxymonosulfate: kinetics, effect of operational parameters and mechanism.

    Science.gov (United States)

    Liu, Xiaowei; Zhang, Tuqiao; Zhou, Yongchao; Fang, Lei; Shao, Yu

    2013-11-01

    Photoactivation of peroxymonosulfate (PMS) with UV (254nm) irradiation was used to generate the SO4(-)-based advanced oxidation process, which was adopted to degrade atenolol (ATL) in water. The second-order reaction rate constants of ATL with HO and SO4(-) were determined, and the effects of operational parameters (dose of PMS, solution pH, HCO3(-), humic acids (HA), and N2 bubbling) were evaluated as well. Finally the main transformation intermediates were identified and possible degradation pathways were proposed. The results showed that there was a linear positive correlation between the degradation rate of ATL and specific dose of PMS (1-16M PMS/M ATL). Increasing solution pH from 3 to 9 promoted elimination of ATL due to the pH-dependent effect of PMS photodecomposition, while further pH increase from 9 to 11 caused slowing down of degradation because of apparent conversion of HO to SO4(-). 1-8mM HCO3(-) exerted no more than 5.3% inhibition effect on ATL destruction, suggesting HCO3(-) was a weak inhibitor. Absorption (or complexation) and photosensitized oxidation induced by HA improved ATL degradation during the first minute of degradation process, whereas photon competition and radical scavenging effects became the leading role afterward. Bubbling with nitrogen enhanced the degradation rate due to the stripping of dissolved oxygen. Hydroxylation of aromatic ring, cleavage of ether bond, oxidation of primary and secondary amine moieties, and dimerization were involved in the degradation mechanism of ATL by UV/PMS.

  3. Estimation of turbulent kinetic energy using 4D phase-contrast MRI: Effect of scan parameters and target vessel size.

    Science.gov (United States)

    Ha, Hojin; Hwang, Dongha; Kim, Guk Bae; Kweon, Jihoon; Lee, Sang Joon; Baek, Jehyun; Kim, Young-Hak; Kim, Namkug; Yang, Dong Hyun

    2016-07-01

    Quantifying turbulence velocity fluctuation is important because it indicates the fluid energy dissipation of the blood flow, which is closely related to the pressure drop along the blood vessel. This study aims to evaluate the effects of scan parameters and the target vessel size of 4D phase-contrast (PC)-MRI on quantification of turbulent kinetic energy (TKE). Comprehensive 4D PC-MRI measurements with various velocity-encoding (VENC), echo time (TE), and voxel size values were carried out to estimate TKE distribution in stenotic flow. The total TKE (TKEsum), maximum TKE (TKEmax), and background noise level (TKEnoise) were compared for each scan parameter. The feasibility of TKE estimation in small vessels was also investigated. Results show that the optimum VENC for stenotic flow with a peak velocity of 125cm/s was 70cm/s. Higher VENC values overestimated the TKEsum by up to six-fold due to increased TKEnoise, whereas lower VENC values (30cm/s) underestimated it by 57.1%. TE and voxel size did not significantly influence the TKEsum and TKEnoise, although the TKEmax significantly increased as the voxel size increased. TKE quantification in small-sized vessels (3-5-mm diameter) was feasible unless high-velocity turbulence caused severe phase dispersion in the reference image. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Contribution of counterions and degree of ionization for birefringence creation and relaxation kinetics parameters of PAH/PAZO films

    Energy Technology Data Exchange (ETDEWEB)

    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.

  5. Final Report for NFE-07-00912: Development of Model Fuels Experimental Engine Data Base & Kinetic Modeling Parameter Sets

    Energy Technology Data Exchange (ETDEWEB)

    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).

  6. TU-C-12A-11: Comparisons Between Cu-ATSM PET and DCE-CT Kinetic Parameters in Canine Sinonasal Tumors

    Energy Technology Data Exchange (ETDEWEB)

    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

  7. Kinetic parameters study based on burn-up for improving the performance of research reactor equilibrium core

    Directory of Open Access Journals (Sweden)

    Muhammad Atta

    2014-01-01

    Full Text Available In this study kinetic parameters, effective delayed neutron fraction and prompt neutron generation time have been investigated at different burn-up stages for research reactor's equilibrium core utilizing low enriched uranium high density fuel (U3Si2-Al fuel with 4.8 g/cm3 of uranium. Results have been compared with reference operating core of Pakistan research Reactor-1. It was observed that by increasing fuel burn-up, effective delayed neutron fraction is decreased while prompt neutron generation time is increased. However, over all ratio beff/L is decreased with increasing burn-up. Prompt neutron generation time L in the understudy core is lower than reference operating core of reactor at all burn-up steps due to hard spectrum. It is observed that beff is larger in the understudy core than reference operating core of due to smaller size. Calculations were performed with the help of computer codes WIMSD/4 and CITATION.

  8. Comparison of dual-echo DSC-MRI- and DCE-MRI-derived contrast agent kinetic parameters.

    Science.gov (United States)

    Quarles, C Chad; Gore, John C; Xu, Lei; Yankeelov, Thomas E

    2012-09-01

    The application of dynamic susceptibility contrast (DSC) MRI methods to assess brain tumors is often confounded by the extravasation of contrast agent (CA). Disruption of the blood-brain barrier allows CA to leak out of the vasculature leading to additional T(1), T(2) and T(2) relaxation effects in the extravascular space, thereby affecting the signal intensity time course in a complex manner. The goal of this study was to validate a dual-echo DSC-MRI approach that separates and quantifies the T(1) and T(2) contributions to the acquired signal and enables the estimation of the volume transfer constant, K(trans), and the volume fraction of the extravascular extracellular space, v(e). To test the validity of this approach, DSC-MRI- and dynamic contrast enhanced (DCE) MRI-derived K(trans) and v(e) estimates were spatially compared in both 9L and C6 rat brain tumor models. A high degree of correlation (concordance correlation coefficients >0.83, Pearson's r>0.84) and agreement was found between the DSC-MRI- and DCE-MRI-derived measurements. These results indicate that dual-echo DSC-MRI can be used to simultaneously extract reliable DCE-MRI kinetic parameters in brain tumors in addition to conventional blood volume and blood flow metrics.

  9. Evaluation of the kinetic and thermodynamic parameters of oxidation reaction in biodiesel from a quaternary mixture of raw material

    Directory of Open Access Journals (Sweden)

    Karina Gomes Angilelli

    2017-05-01

    Full Text Available A mixture of vegetable oil and animal fat as raw materials was optimized by simplex-centroid mixture design to produce a type of biodiesel with good oxidative stability, flow properties and reaction yield. Further, kinetic and thermodynamic parameters of oxidation reaction were determined by the accelerated method at different temperatures. Biodiesel produced with sodium methoxide as catalyst presented 6.5°C of cloud point, 2.0°C of pour point, and oxidative stability at 110°C equal to 8.98h, with a reaction yield of 96.04%. Activation energy of the oxidation reaction was 81.03 kJ mol-1 for biodiesel produced with sodium hydroxide and 90.51 kJ mol-1 for sodium methoxide. The positive values for DH‡ and DG‡ indicate that the oxidation process is endothermic and endergonic. The less negative DS‡ for biodiesel produced with sodium methoxide (-28.87 JK-1 mol-1 showed that the process of degradation of this biofuel was slower than that produced with NaOH. The mixture of raw materials proposed, transesterified with the methoxide catalyst, resulted in a biofuel that resisted oxidation for longer periods, making unnecessary the addition of antioxidant

  10. A New General Method for Simultaneous Fitting of Temperature- and Concentration-Dependence of Reaction Rates Yields Kinetic and Thermodynamic Parameters for HIV Reverse Transcriptase Specificity.

    Science.gov (United States)

    Li, An; Ziehr, Jessica L; Johnson, Kenneth A

    2017-03-02

    Recent studies have demonstrated the dominant role of induced-fit in enzyme specificity of HIV reverse transcriptase and many other enzymes. However, relevant thermodynamic parameters are lacking and equilibrium thermodynamic methods are of no avail because the key parameters can only determined by kinetic measurement. By modifying KinTek Explorer software, we present a new general method for globally fitting data collected over a range of substrate concentrations and temperatures and apply it to HIV reverse transcriptase. Fluorescence stopped-flow methods were used to record the kinetics of enzyme conformational changes that monitor nucleotide binding and incorporation. The nucleotide concentration dependence was measured at temperatures ranging from 5 to 37C and the raw data were fit globally to derive a single set of rate constants at 37C and a set of activation enthalpy terms to account for the kinetics at all other temperatures. This comprehensive analysis afforded thermodynamic parameters for nucleotide binding (Kd, ΔG, ΔH, ΔS at 37C), and kinetic parameters for enzyme conformational changes and chemistry (rate constants and activation enthalpy). Comparisons between wild-type enzyme and a mutant resistant to nucleoside analogs used to treat HIV infections reveal that the ground state binding is weaker and the activation enthalpy for the conformational change step is significantly larger for the mutant. Further studies to explore the structural underpinnings of the observed thermodynamics and kinetics of the conformational change step may help to design better analogs to treat HIV infections and other diseases. Our new method is generally applicable to enzyme and chemical kinetics.

  11. Monin-Obukhov Similarity Functions of the Structure Parameter of Temperature and Turbulent Kinetic Energy Dissipation Rate in the Stable Boundary Layer

    NARCIS (Netherlands)

    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

  12. Study on thermal decomposition kinetic parameters of GAP-TPE%GAP-TPE热分解动力学研究

    Institute of Scientific and Technical Information of China (English)

    左海丽; 肖乐勤; 周伟良; 徐复铭

    2011-01-01

    利用热量(TG)及微商热重(DTG),研究了GAP基含能热塑性弹性体(GAP-TPE)在氢气气氛、不同升温速率的热分解反应过程.根据GAP-TPE热解DTG曲线特点,把GAP-TPE热解过程分为3个阶段,用Kissinger法计算3个阶段的动力学参数,其活化能分别是223、235、57kJ/mol,lnA分别是52.73、49.39、8.28.用Ozawa法求得各阶段的平均活化能与Kinger法计算结果基本一致,并采用Coats-Redfen法求算了GAP-TPE热分解3个阶段可能遵循的动力学机理方程式分别为[ - ln(1 -α)]1/3、-ln(1-α)和-ln(1-α).%Based on the thermal analysis kinetics,thermogravimetric analysis(TG)and derivative thermogravimetry( DTG) were employed to evaluate the thermal decomposition behaviors of CAP-TPE in Ar atmosphere. A peak separation was performed to separate the thermal decomposition of CAP-TPE into three stages according to the characteristic of the experimental differential mass loss curve,and the kinetic parameters such as activation energy and pre-exponential were calculated and analyzed with Kissinger method. The activation energy of three stages were 223 kJ/mol ,233 kJ/mol and 57 kJ/mol, the hv4 were 52.73,49.39 and 8.28, respectively. The average activation energy was calculated with Ozawa methods in each decomposition stage is consistent with the result of Kissinger method. In addition,the mechanism functions of the three stage using the methods of Coats-Redfen were[ - ln( 1 -a) ]1/3, -ln(1-α) and - ln(1-α),respectively.

  13. Statistical thermodynamics understanding the properties of macroscopic systems

    CERN Document Server

    Fai, Lukong Cornelius

    2012-01-01

    Basic Principles of Statistical PhysicsMicroscopic and Macroscopic Description of StatesBasic PostulatesGibbs Ergodic AssumptionGibbsian EnsemblesExperimental Basis of Statistical MechanicsDefinition of Expectation ValuesErgodic Principle and Expectation ValuesProperties of Distribution FunctionRelative Fluctuation of an Additive Macroscopic ParameterLiouville TheoremGibbs Microcanonical EnsembleMicrocanonical Distribution in Quantum MechanicsDensity MatrixDensity Matrix in Energy RepresentationEntropyThermodynamic FunctionsTemperatureAdiabatic ProcessesPressureThermodynamic IdentityLaws of Th

  14. Micro- and macroscopic simulation of periodic metamaterials

    Directory of Open Access Journals (Sweden)

    R. Schuhmann

    2008-05-01

    Full Text Available In order to characterize three-dimensional, left-handed metamaterials (LHM we use electromagnetic field simulations of unit cells. For waves traveling in one of the main directions of the periodic LHM-arrays, the analysis is concentrated on the calculation of global quantities of the unit cells, such as scattering parameters or dispersion diagrams, and a careful interpretation of the results. We show that the concept of equivalent material values – which may be negative in a narrow frequency range – can be validated by large "global" simulations of a wedge structure. We also discuss the limitations of this concept, since in some cases the macroscopic behavior of an LHM cannot be accurately described by equivalent material values.

  15. Enzyme Kinetics Experiment with the Multienzyme Complex Viscozyme L and Two Substrates for the Accurate Determination of Michaelian Parameters

    Science.gov (United States)

    Guerra, Nelson Pérez

    2017-01-01

    A laboratory experiment in which students study the kinetics of the Viscozyme-L-catalyzed hydrolysis of cellulose and starch comparatively was designed for an upper-division biochemistry laboratory. The main objective of this experiment was to provide an opportunity to perform enhanced enzyme kinetics data analysis using appropriate informatics…

  16. Estimation of kinetic parameters of the passive state of carbon steel in mildly alkaline solutions from electrochemical impedance spectroscopic and X-ray photoelectron spectroscopic data

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, X.; Wren, J.C. [Department of Chemistry, University of Western Ontario, 1151 Richmond St, London, Ontario, N6A 5B7 (Canada); Betova, I. [Department of Chemistry, Technical University of Sofia, 1000 Sofia (Bulgaria); Bojinov, M., E-mail: martin@uctm.edu [Department of Physical Chemistry, University of Chemical Technology and Metallurgy, 1756 Sofia (Bulgaria)

    2011-07-01

    Highlights: > The passive state of carbon steel is described using the Mixed-Conduction Model for oxide films. > Kinetic parameters are estimated by comparison of the model to EIS and XPS data. > The passive film is intermediate between magnetite and maghemite. > Relevance of film growth and dissolution reactions for corrosion is discussed. - Abstract: The unambiguous interpretation of electrochemical impedance spectra of complex systems such as passive metals and alloys in terms of an unique kinetic model is often hampered by the large number of adjustable modeling parameters. In this paper, a combination of in situ electrochemical data and ex situ surface analytical information is employed to validate the estimates of kinetic and transport parameters of the passive state of carbon steel. For the purpose, electrochemical impedance spectroscopic and X-ray photoelectron spectroscopic data for the oxidation of carbon steel in mildly alkaline solutions are quantitatively compared with the predictions of the Mixed-Conduction Model for oxide films that represent the passive oxide as an intermediate phase between magnetite and maghemite. Estimates of the kinetic rate constants at the film interfaces, as well as the diffusion coefficients and field strength in the film are obtained and their relevance for the corrosion mechanism of carbon steel is discussed.

  17. The Proell Effect: A Macroscopic Maxwell's Demon

    Science.gov (United States)

    Rauen, Kenneth M.

    2011-12-01

    Maxwell's Demon is a legitimate challenge to the Second Law of Thermodynamics when the "demon" is executed via the Proell effect. Thermal energy transfer according to the Kinetic Theory of Heat and Statistical Mechanics that takes place over distances greater than the mean free path of a gas circumvents the microscopic randomness that leads to macroscopic irreversibility. No information is required to sort the particles as no sorting occurs; the entire volume of gas undergoes the same transition. The Proell effect achieves quasi-spontaneous thermal separation without sorting by the perturbation of a heterogeneous constant volume system with displacement and regeneration. The classical analysis of the constant volume process, such as found in the Stirling Cycle, is incomplete and therefore incorrect. There are extra energy flows that classical thermo does not recognize. When a working fluid is displaced across a regenerator with a temperature gradient in a constant volume system, complimentary compression and expansion work takes place that transfers energy between the regenerator and the bulk gas volumes of the hot and cold sides of the constant volume system. Heat capacity at constant pressure applies instead of heat capacity at constant volume. The resultant increase in calculated, recyclable energy allows the Carnot Limit to be exceeded in certain cycles. Super-Carnot heat engines and heat pumps have been designed and a US patent has been awarded.

  18. Wave speeds in the macroscopic extended model for ultrarelativistic gases

    Energy Technology Data Exchange (ETDEWEB)

    Borghero, F., E-mail: borghero@unica.it [Dip. Matematica e Informatica, Università di Cagliari, Via Ospedale 72, 09124 Cagliari (Italy); Demontis, F., E-mail: fdemontis@unica.it [Dip. Matematica, Università di Cagliari, Viale Merello 92, 09123 Cagliari (Italy); Pennisi, S., E-mail: spennisi@unica.it [Dip. Matematica, Università di Cagliari, Via Ospedale 72, 09124 Cagliari (Italy)

    2013-11-15

    Equations determining wave speeds for a model of ultrarelativistic gases are investigated. This model is already present in literature; it deals with an arbitrary number of moments and it was proposed in the context of exact macroscopic approaches in Extended Thermodynamics. We find these results: the whole system for the determination of the wave speeds can be divided into independent subsystems which are expressed by linear combinations, through scalar coefficients, of tensors all of the same order; some wave speeds, but not all of them, are expressed by square roots of rational numbers; finally, we prove that these wave speeds for the macroscopic model are the same of those furnished by the kinetic model.

  19. Wave speeds in the macroscopic extended model for ultrarelativistic gases

    Energy Technology Data Exchange (ETDEWEB)

    Borghero, F., E-mail: borghero@unica.it [Dip. Matematica e Informatica, Università di Cagliari, Via Ospedale 72, 09124 Cagliari (Italy); Demontis, F., E-mail: fdemontis@unica.it [Dip. Matematica, Università di Cagliari, Viale Merello 92, 09123 Cagliari (Italy); Pennisi, S., E-mail: spennisi@unica.it [Dip. Matematica, Università di Cagliari, Via Ospedale 72, 09124 Cagliari (Italy)

    2013-11-15

    Equations determining wave speeds for a model of ultrarelativistic gases are investigated. This model is already present in literature; it deals with an arbitrary number of moments and it was proposed in the context of exact macroscopic approaches in Extended Thermodynamics. We find these results: the whole system for the determination of the wave speeds can be divided into independent subsystems which are expressed by linear combinations, through scalar coefficients, of tensors all of the same order; some wave speeds, but not all of them, are expressed by square roots of rational numbers; finally, we prove that these wave speeds for the macroscopic model are the same of those furnished by the kinetic model.

  20. Macroscopically-Discrete Quantum Cosmology

    CERN Document Server

    Chew, Geoffrey F

    2008-01-01

    To Milne's Lorentz-group-based spacetime and Gelfand-Naimark unitary representations of this group we associate a Fock space of 'cosmological preons'-quantum-theoretic universe constituents. Milne's 'cosmological principle' relies on Lorentz invariance of 'age'--global time. We divide Milne's spacetime into 'slices' of fixed macroscopic width in age, with 'cosmological rays' defined on (hyperbolic) slice boundaries-Fock space attaching only to these exceptional universe ages. Each (fixed-age) preon locates within a 6-dimensional manifold, one of whose 3 'extra' dimensions associates in Dirac sense to a self-adjoint operator that represents preon (continuous) local time, the operator canonically-conjugate thereto representing preon (total) energy. Self-adjoint-operator expectations at any spacetime-slice boundary prescribe throughout the following slice a non-fluctuating 'mundane reality'- electromagnetic and gravitational potentials 'tethered' to current densities of locally-conserved electric charge and ener...

  1. Seismic scanning tunneling macroscope - Theory

    KAUST Repository

    Schuster, Gerard T.

    2012-09-01

    We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.

  2. Testing of the Effect of Reaction Parameters on the Enzyme Immobilization by Adsorption and Cross-Linking Processes with Kinetic Desorption Method

    Directory of Open Access Journals (Sweden)

    Dániel Radva

    2011-01-01

    Full Text Available The activity of enzymes after the immobilization by weak interactions such as adsorption or adsorption followed by a cross-linking reaction can change easily not only during further application but during the activity measured via desorption and/or inactivation of enzymes. The changes in activity could be a consequence of the interactions between the enzyme and support. In this work a quick and efficient method is developed that permits studying of the strength and properties of the forces between the enzymes and support by examining the kinetics of desorption and/or inactivation. Applying this new cyclic kinetic desorption method, the effect of reaction parameters on immobilization could also be studied. The efficiency of this method was tested for optimizing the parameters for immobilization of β-glucosidase on Amberlite IRA 900 anion exchange resin by an adsorption followed by a cross-linking with glutaraldehyde to form potential preparation for food industry. The following parameters were chosen: concentration (0.10 M of the buffer (sodium acetate, pH=5.5 and the ratio of carrier to enzyme (10:1 for the adsorption step, then the time of treatment (1 min and concentration (0.25, by mass per volume of glutaraldehyde for the cross-linking by using the kinetic desorption method. The activity of this preparation was 57 μmol/(min·g in respect of dry resin. It was established that the effect of different parameters on this enzyme immobilization could be characterized by the new cyclic kinetic desorption method in a quick and efficient way; furthermore, it permitted separate testing of the effect of parameters on the adsorption and cross-linking processes.

  3. Kinetic Parameters during Bis-GMA and TEGDMA Monomer Polymerization by ATR-FTIR: The Influence of Photoinitiator and Light Curing Source

    Directory of Open Access Journals (Sweden)

    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.

  4. Prediction of residual stress due to early age behaviour of massive concrete structures: on site experiments and macroscopic modelling

    CERN Document Server

    Zreiki, Jihad; Chaouche, Mohend; Moranville, Micheline

    2008-01-01

    Early age behaviour of concrete is based on complex multi-physical and multiscale phenomena. The predication of both cracking risk and residual stresses in hardened concrete structures is still a challenging task. We propose in this paper a practical method to characterize in the construction site the material parameters and to identify a macroscopic model from simple tests. We propose for instance to use a restrained shrinkage ring test to identify a basic early age creep model based on a simple ageing visco-elastic Kelvin model. The strain data obtained from this test can be treated through an early age finite element incremental procedure such that the fitting parameters of the creep law can be quickly identified. The others properties of concrete have been measured at different ages (elastic properties, hydration kinetics, and coefficient of thermal expansion). From the identified early age model, we computed the temperature rise and the stress development in a non reinforced concrete stress for nuclear w...

  5. The comparison of the estimation of enzyme kinetic parameters by fitting reaction curve to the integrated Michaelis-Menten rate equations of different predictor variables.

    Science.gov (United States)

    Liao, Fei; Zhu, Xiao-Yun; Wang, Yong-Mei; Zuo, Yu-Ping

    2005-01-31

    The estimation of enzyme kinetic parameters by nonlinear fitting reaction curve to the integrated Michaelis-Menten rate equation ln(S(0)/S)+(S(0)-S)/K(m)=(V(m)/K(m))xt was investigated and compared to that by fitting to (S(0)-S)/t=V(m)-K(m)x[ln(S(0)/S)/t] (Atkins GL, Nimmo IA. The reliability of Michaelis-Menten constants and maximum velocities estimated by using the integrated Michaelis-Menten equation. Biochem J 1973;135:779-84) with uricase as the model. Uricase reaction curve was simulated with random absorbance error of 0.001 at 0.075 mmol/l uric acid. Experimental reaction curve was monitored by absorbance at 293 nm. For both CV and deviation kinetic parameters and applicable for the characterization of enzyme inhibitors.

  6. KINETIC PARAMETERS AND CYTOTOXIC ACTIVITY OF RECOMBINANT METHIONINE γ-LYASE FROM CLOSTRIDIUM TETANI, CLOSTRIDIUM SPOROGENES, PORPHYROMONAS GINGIVALIS AND CITROBACTER FREUNDII

    OpenAIRE

    Morozova, E.; Kulikova, V.; Yashin, D.; Anufrieva, N.; Anisimova, N.; Revtovich, S.; Kotlov, M.; Belyi, Y.; Pokrovsky, V.; Demidkina, T.

    2013-01-01

    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-his...

  7. Thermoluminescent kinetic parameters of the perovskite, KMgF{sub 3}, activated with lanthanum; Parametros cineticos termoluminiscentes de la perovskita, KMgF{sub 3}, activada con lantano

    Energy Technology Data Exchange (ETDEWEB)

    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)

  8. Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-07-01

    Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025 and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.

  9. MACROSCOPIC DIVERSITY FOR CDMA MOBILE SYSTEM

    Institute of Scientific and Technical Information of China (English)

    Pei Xiaoyan; Hu Jiandong

    2002-01-01

    A novel system of macroscopic diversity with voting rule in CDMA cellular system is suggested in order to raise the coverage and quality of service of CDMA mobile communication system. The estimation of the impact of macroscopic diversity on performance of CDMA cellular system is analyzed and investigated.

  10. MACROSCOPIC DIVERSITY FOR CDMA MOBILE SYSTEM

    Institute of Scientific and Technical Information of China (English)

    PeiXiaoyan; HuJiandong

    2002-01-01

    A novel system of macroscopic diversity with voting rule in CDMA cellular system is suggested in order to raise the coverage and quality of service of CDMA mobile communication system.The estimation of the impact of macroscopic diversity on performance of CDMA cellular system is analyzed and investigated.

  11. Sensitivity analysis and uncertainties in the generation of the parameters neutronic used in simulation of transients in reactors BWR and PWR reactors with coupled codes; Analisis de sensibilidad e incertidumbres en la generacion de los parametros neutronicos utilizados en la simulacion de transitorios en reactores BWR y PWR con codigos acoplados

    Energy Technology Data Exchange (ETDEWEB)

    Mesado, C.; Barrachina, T.; Miro, R.; Macian, R.; Verdu, G.

    2011-07-01

    This paper presents a study on the influence of information on neutron macroscopic uncertainty that describes a three-dimensional core model the most important results of the simulation of a reactivity insertion accident. Also performed a sensitivity analysis in order to establish which the input parameter, in this case, is the kinetic parameters that most influence the results.

  12. Assessment of metabolic properties and kinetic parameters of methanogenic sludge by on-line methane production rate measurements

    NARCIS (Netherlands)

    Gonzalez-Gil, G.; Kleerebezem, R.; Lettinga, G.

    2002-01-01

    This report presents a new approach to studying the metabolic and kinetic properties of anaerobic sludge from single batch experiments. The two main features of the method are that the methane production is measured on-line with a relatively cheap system, and that the methane production data can be

  13. Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Nandipati, Giridhar, E-mail: giridhar.nandipati@pnnl.gov [Pacific Northwest National Laboratory, Richland, WA (United States); Setyawan, Wahyu; Heinisch, Howard L. [Pacific Northwest National Laboratory, Richland, WA (United States); Roche, Kenneth J. [Pacific Northwest National Laboratory, Richland, WA (United States); Department of Physics, University of Washington, Seattle, WA 98195 (United States); Kurtz, Richard J. [Pacific Northwest National Laboratory, Richland, WA (United States); Wirth, Brian D. [University of Tennessee, Knoxville, TN (United States)

    2015-07-15

    A study has been performed using object kinetic Monte Carlo (OKMC) simulations to investigate various aspects of cascade aging in bulk tungsten (W) and to determine its sensitivity to the kinetic parameters. The primary focus is on how the kinetic parameters affect the intracascade recombination of defects. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters, annealing is dominated by SIA migration even at 2050 K. It was found that for 100 keV cascades initiated at 300 K, recombination is dominated by the annihilation of large defect clusters, while for all the other primary knock-on atom (PKA) energies and temperatures, recombination is primarily due to the migration and rotation of small SIA clusters, while the large SIA clusters escape the simulation cell. The annealing efficiency exhibits an inverse U-shaped curve behavior with increasing temperature, especially at large PKA energies, caused by the asymmetry in SIA and vacancy clustering assisted by the large differences in their mobilities. This behavior is unaffected by the dimensionality of SIA migration, and it persists over a broad range of relative mobilities of SIAs and vacancies.

  14. GROWTH KINETIC PARAMETERS AND BIOSYNTHESIS OF POLYHYDROXY-BUTYRATE IN Cupriavidus necator DSMZ 545 ON SELECTED SUBSTRATES

    Directory of Open Access Journals (Sweden)

    M. KHODABANDEH

    2011-03-01

    Full Text Available A kinetic model for Cupriavidus necator in batch culture using glucose, fructose and molasses as carbon sources was obtained. The experimental data was also fitted with the modified logistic equation that can provide adequate description for PHB synthesized by C. necator. The Lineweaver-Burk plot defined biokinetic coefficients which were described by a simplified Monod’s rate model. The specific growth rates, μmax and the Monod constants, Ks, for various substrates such as glucose, fructose and molasses were 0.18, 1.25, 0.42 h-1 and 107.53, 30.342 and 188.16 g/l, respectively. The kinetic constants were evaluated on the basis of non-linear regression solved using MATLAB soft¬ware. Good agreement was found between the experimental and the predicted values, which indicated that the model with differential equations would describe fermentation process for the PHB formation.

  15. Evaluation of kinetic parameters of exothermic gas/solid-reactions by the ignition point method; Bestimmung kinetischer Parameter exothermer Gas/Feststoff-Reaktionen mit der Zuendpunktsmethode

    Energy Technology Data Exchange (ETDEWEB)

    Hein, O.; Jess, A. [Technische Hochschule Aachen (Germany). Inst. fuer Technische Chemie und Makromolekulare Chemie

    2000-01-01

    The determination of kinetic constants of heterogeneous reactions is usually performed in tubular flow reactors under isothermal and stationary reaction conditions. This is often time-consuming and difficult. For example, in case of strong exothermic reactions, temperature gradients up to the ignition of the fixed-bed are hard to avoid, and therefore expensive reactors with internal or external gas recycle are needed. The effect of ignition can also be used to characterize the reactivity of solid fuels and the activity of catalysts, respectively. A well-known method for a simple, fast and accurate determination of the ignition temperature in a lab-scale tubular flow reactor is already described in literature. Yet, the ignition point method is up to now only used as a qualitative measure for the (relative) reactivity of solid fuels and activity of catalysts. Therefore, an attempt was made to extend this method towards a quantitative characterization of the kinetics of exothermic heterogeneous reaction systems, i.e. for a determination of the activation energy and the preexponential factor. The basic idea is thereby to alter the ignition point by a defined variation of the operation conditions such as particle diameter, heating rate as well as of the composition and flow rate of the reacting gas mixture. The resulting data are then used to calculate the kinetic constants based on the theory of ignition of exothermic reactions. The combustion of different cokes as well as of carbon deposits on a Pt-catalyst were selected as model reactions for gas/solid-reactions. In addition, the oxidation of methane on a Pt-catalyst was investigated. The experiments on the influence of the operation conditions show that the gas composition - in case of combustion of coke the oxygen content - has the strongest influence on the ignition temperature. This method is therefore very suitable to determine kinetic constants. To prove the accuracy of this method, the kinetic data were also

  16. Rank distributions: A panoramic macroscopic outlook

    Science.gov (United States)

    Eliazar, Iddo I.; Cohen, Morrel H.

    2014-01-01

    This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

  17. Comparison of adsorption equilibrium and kinetic models for a case study of pharmaceutical active ingredient adsorption from fermentation broths: parameter determination, simulation, sensitivity analysis and optimization

    Directory of Open Access Journals (Sweden)

    B. Likozar

    2012-09-01

    Full Text Available Mathematical models for a batch process were developed to predict concentration distributions for an active ingredient (vancomycin adsorption on a representative hydrophobic-molecule adsorbent, using differently diluted crude fermentation broth with cells as the feedstock. The kinetic parameters were estimated using the maximization of the coefficient of determination by a heuristic algorithm. The parameters were estimated for each fermentation broth concentration using four concentration distributions at initial vancomycin concentrations of 4.96, 1.17, 2.78, and 5.54 g l−¹. In sequence, the models and their parameters were validated for fermentation broth concentrations of 0, 20, 50, and 100% (v/v by calculating the coefficient of determination for each concentration distribution at the corresponding initial concentration. The applicability of the validated models for process optimization was investigated by using the models as process simulators to optimize the two process efficiencies.

  18. Investigation of dissipative forces near macroscopic media

    Energy Technology Data Exchange (ETDEWEB)

    Becker, R.S.

    1982-12-01

    The interaction of classical charged particles with the fields they induce in macroscopic dielectric media is investigated. For 10- to 1000-eV electrons, the angular perturbation of the trajectory by the image potential for surface impact parameters of 50 to 100 A is shown to be of the order of 0.001 rads over a distance of 100 A. The energy loss incurred by low-energy particles due to collective excitations such as surface plasmons is shown to be observable with a transition probability of 0.01 to 0.001 (Becker, et al., 1981b). The dispersion of real surface plasmon modes in planar and cylindrical geometries is discussed and is derived for pinhole geometry described in terms of a single-sheeted hyperboloid of revolution. An experimental apparatus for the measurement of collective losses for medium-energy electrons translating close to a dielectric surface is described and discussed. Data showing such losses at electron energies of 500 to 900 eV in silver foils containing many small apertures are presented and shown to be in good agreement with classical stopping power calculations and quantum mechanical calculations carried out in the low-velocity limit. The data and calculations are compared and contrasted with earlier transmission and reflection measurements, and the course of further investigation is discussed.

  19. Searching for the nanoscopic–macroscopic boundary

    Energy Technology Data Exchange (ETDEWEB)

    Velásquez, E.A. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Investigación en Modelamiento y Simulación Computacional, Universidad de San Buenaventura Sec. Medellín, A.A. 5222, Medellín (Colombia); Altbir, D. [Departamento de Física, Universidad de Santiago de Chile (USACH), CEDENNA, Santiago (Chile); Mazo-Zuluaga, J. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Duque, L.F. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Física Teórica, Aplicada y Didáctica, Facultad de Ciencias Exactas y Aplicadas Instituto Tecnológico Metropolitano, Medellín (Colombia); Mejía-López, J., E-mail: jmejia@puc.cl [Facultad de Física, Pontificia Universidad Católica de Chile, CEDENNA, Santiago (Chile)

    2013-12-15

    Several studies have focused on the size-dependent properties of elements, looking for a unique definition of the nanoscopic–macroscopic boundary. By using a novel approach consisting of an energy variational method combined with a quantum Heisenberg model, here we address the size at which the ordering temperature of a magnetic nanoparticle reaches its bulk value. We consider samples with sizes in the range 1–500 nm, as well as several geometries and crystalline lattices and observe that, contrarily to what is commonly argued, the nanoscopic-microscopic boundary depends on both factors: shape and crystalline structure. This suggests that the surface-to-volume ratio is not the unique parameter that defines the behavior of a nanometric sample whenever its size increases reaching the bulk dimension. Comparisons reveal very good agreement with experimental evidence with differences less than 2%. Our results have broad implications for practical issues in measurements on systems at the nanometric scale. - Highlights: • A novel quantum-Heisenberg variational energy method is implemented. • The asymptotic behavior toward the thermodynamic limit is explored. • An important dependence of the nano-bulk boundary on the geometry is found. • And also an important dependence on the crystalline lattice. • We obtain a very good agreement with experimental evidence with differences <2%.

  20. Uncertainty and Sensitivity of Neutron Kinetic Parameters in the Dynamic Response of a PWR Rod Ejection Accident Coupled Simulation

    Directory of Open Access Journals (Sweden)

    C. Mesado

    2012-01-01

    Full Text Available In nuclear safety analysis, it is very important to be able to simulate the different transients that can occur in a nuclear power plant with a very high accuracy. Although the best estimate codes can simulate the transients and provide realistic system responses, the use of nonexact models, together with assumptions and estimations, is a source of uncertainties which must be properly evaluated. This paper describes a Rod Ejection Accident (REA simulated using the coupled code RELAP5/PARCSv2.7 with a perturbation on the cross-sectional sets in order to determine the uncertainties in the macroscopic neutronic information. The procedure to perform the uncertainty and sensitivity (U&S analysis is a sampling-based method which is easy to implement and allows different procedures for the sensitivity analyses despite its high computational time. DAKOTA-Jaguar software package is the selected toolkit for the U&S analysis presented in this paper. The size of the sampling is determined by applying the Wilks’ formula for double tolerance limits with a 95% of uncertainty and with 95% of statistical confidence for the output variables. Each sample has a corresponding set of perturbations that will modify the cross-sectional sets used by PARCS. Finally, the intervals of tolerance of the output variables will be obtained by the use of nonparametric statistical methods.

  1. A New Method to Estimate Intrinsic Parameters in the Ping-pong Bisustrate Kinetic: Application to the Oxipolymerization of Phenol

    Directory of Open Access Journals (Sweden)

    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.

  2. Determination of kinetic parameters of fermentation processes by a continuous unsteady-state method: Application to the alcoholic fermentation of D-xylose by Pichia stipitis

    Energy Technology Data Exchange (ETDEWEB)

    Dominguez, H.; Nunez, M.J.; Lema, J.M. (Avda. Ciencias s/n, Santiago (Spain)); Chamy, R. (Univ. Catolica de Valparaiso (Chile))

    1993-05-01

    A quick technique for determination of kinetic parameters of fermentation processes is proposed and applied to the transformation of D-xylose into ethanol by Pichi stipitis. The commonly used method to evaluate these parameters is based on achieving several steady states. In the proposed procedure, [mu][sub m] and K[sub S] can be determined from only one steady state, by provoking a disturbance over it, after allowing the system to return to the original conditions. The main difference between the steady and unsteady state methods is the required fermentation time; while the former method lasted 350 h, the latter required a period 25 times lower. Kinetic and stoichiometric parameters were determined with both methods under anoxic and limited oxygen concentration conditions. Results from the two methods were compared, giving only 2% and 4.5% differences in the values of K[sub S] and [mu][sub m], respectively, under anoxic conditions; 12.5% for K[sub S] and a little over 4% for [mu][sub m] were the deviations under the latter ones.

  3. Determination of Kinetic Parameters for Methane Oxidation over Pt/γ-Al2O3 in a Fixed-Bed Reactor

    Directory of Open Access Journals (Sweden)

    Vita Wonoputri

    2013-07-01

    Full Text Available This paper describes akinetic study for the determination of the kinetic parameters of lean methane emission oxidation over Pt/γ-Al2O3 in a dedicated laboratory scale fixed bed reactor. A model ofthemechanistic reaction kinetic parameters has been developed. The reaction rate model was determined using therate-limiting step method, which was integrated and optimized to find the most suitable model and parameters. Based on this study, the Langmuir-Hinshelwood reaction rate model with the best correlationis the one where the rate-limiting step is thesurface reaction between methane and one adsorbed oxygen atom. The pre-exponential factor and activation energy were 9.19 x 105 and 92.04 kJ/mol, while the methane and oxygen adsorption entropy and enthalpy were –17.46 J/mol.K, –2739.36 J/mol,–16.34 J/mol.K, and –6157.09 J/mol, respectively.

  4. Assessment and parameter identification of simplified models to describe the kinetics of semi-continuous biomethane production from anaerobic digestion of green and food waste.

    Science.gov (United States)

    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.

  5. Estrone-1-sulphate (E1S) has impact on the kinetics parameters of transporter mediated taurine and glutamate influx in Caco-2 cells

    DEFF Research Database (Denmark)

    Steffansen, Bente; El-Sayed, F

    of 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....

  6. Macroscopic transport by synthetic molecular machines

    NARCIS (Netherlands)

    Berna, J; Leigh, DA; Lubomska, M; Mendoza, SM; Perez, EM; Rudolf, P; Teobaldi, G; Zerbetto, F

    2005-01-01

    Nature uses molecular motors and machines in virtually every significant biological process, but demonstrating that simpler artificial structures operating through the same gross mechanisms can be interfaced with - and perform physical tasks in - the macroscopic world represents a significant hurdle

  7. Assessments of macroscopicity for quantum optical states

    DEFF Research Database (Denmark)

    Laghaout, Amine; Neergaard-Nielsen, Jonas Schou; Andersen, Ulrik Lund

    2015-01-01

    With the slow but constant progress in the coherent control of quantum systems, it is now possible to create large quantum superpositions. There has therefore been an increased interest in quantifying any claims of macroscopicity. We attempt here to motivate three criteria which we believe should...... enter in the assessment of macroscopic quantumness: The number of quantum fluctuation photons, the purity of the states, and the ease with which the branches making up the state can be distinguished. © 2014....

  8. Quantum Bell Inequalities from Macroscopic Locality

    CERN Document Server

    Yang, Tzyh Haur; Sheridan, Lana; Scarani, Valerio

    2010-01-01

    We propose a method to generate analytical quantum Bell inequalities based on the principle of Macroscopic Locality. By imposing locality over binary processings of virtual macroscopic intensities, we establish a correspondence between Bell inequalities and quantum Bell inequalities in bipartite scenarios with dichotomic observables. We discuss how to improve the latter approximation and how to extend our ideas to scenarios with more than two outcomes per setting.

  9. Applying quantum mechanics to macroscopic and mesoscopic systems

    CERN Document Server

    T., N Poveda

    2012-01-01

    There exists a paradigm in which Quantum Mechanics is an exclusively developed theory to explain phenomena on a microscopic scale. As the Planck's constant is extremely small, $h\\sim10^{-34}{J.s}$, and as in the relation of de Broglie the wavelength is inversely proportional to the momentum; for a mesoscopic or macroscopic object the Broglie wavelength is very small, and consequently the undulatory behavior of this object is undetectable. In this paper we show that with a particle oscillating around its classical trajectory, the action is an integer multiple of a quantum of action, $S = nh_{o}$. The quantum of action, $h_{o}$, which plays a role equivalent to Planck's constant, is a free parameter that must be determined and depends on the physical system considered. For a mesoscopic and macroscopic system: $h_{o}\\gg h$, this allows us to describe these systems with the formalism of quantum mechanics.

  10. Indirect measurement of interfacial melting from macroscopic ice observations.

    Science.gov (United States)

    Saruya, Tomotaka; Kurita, Kei; Rempel, Alan W

    2014-06-01

    Premelted water that is adsorbed to particle surfaces and confined to capillary regions remains in the liquid state well below the bulk melting temperature and can supply the segregated growth of ice lenses. Using macroscopic measurements of ice-lens initiation position in step-freezing experiments, we infer how the nanometer-scale thicknesses of premelted films depend on temperature depression below bulk melting. The interfacial interactions between ice, liquid, and soda-lime glass particles exhibit a power-law behavior that suggests premelting in our system is dominated by short-range electrostatic forces. Using our inferred film thicknesses as inputs to a simple force-balance model with no adjustable parameters, we obtain good quantitative agreement between numerical predictions and observed ice-lens thickness. Macroscopic observations of lensing behavior have the potential as probes of premelting behavior in other systems.

  11. Oxygen transfer coefficient and the kinetic parameters of exo-polygalacturonase production by Aspergillus flavipes FP-500 in shake flasks and bioreactor.

    Science.gov (United States)

    Gómez Sánchez, C E; Martínez-Trujillo, A; Aguilar Osorio, G

    2012-12-01

    To evaluate and compare the sensitivity of Exo-PG production and kinetic parameters of Aspergillus flavipes FP-500 to oxygen transfer condition in shake flasks and bioreactor. Aspergillus flavipes FP-500 was grown on pectin as carbon source in shake flasks and bioreactor at different oxygen transfer conditions. The volumetric coefficient of oxygen transfer (kLa) was modified by changing both, the flask size/medium volume ratio and the agitation speed. Higher biomass concentration, Exo-PG activity, maximum specific growth rate and yield coefficient were obtained in bioreactor at higher kLa value. A strong correlation was found between biomass, Exo-PG activity and growth-associated product coefficient to kLa in bioreactor but does not in shake flasks. The mathematical model provided a good description of growth, pectin consumption and Exo-PG production in submerged batch cultures carried out in bioreactor. Biomass concentration, Exo-PG activity and their kinetics of Aspergillus flavipes FP-500 were strongly influenced by oxygen transfer condition and cultivation system. Significance and Impact of Study The production of enzymes by fungal fermentation is strictly aerobic and understanding the influence of oxygen transfer condition on the production kinetic is of vital importance in order to design, optimize and translate bioprocesses to industrial scale. © 2012 The Society for Applied Microbiology.

  12. Is it possible to study the kinetic parameters of interaction between PNA and parallel and antiparallel DNA by stopped-flow fluorescence?

    Science.gov (United States)

    Barbero, N; Cauteruccio, S; Thakare, P; Licandro, E; Viscardi, G; Visentin, S

    2016-10-01

    Peptide nucleic acids (PNAs) are among the most interesting and versatile artificial structural mimics of nucleic acids and exhibit peculiar and important properties (i.e. high chemical stability, and a high resistance to cellular enzymes and nucleases). Despite their unnatural structure, they are able to recognize and bind DNA and RNA in a very high, specific and selective manner. One of the most popular, easy and reliable method to measure the stability of PNA-DNA hybrid systems is the melting temperature but the thermodynamic data are obtained using a big quantity of materials failing to provide information on the kinetics of the interaction. In the present work, the PNA decamer 6, with the TCACTAGATG sequence of nucleobases, and the corresponding fluorescent PNA-FITU (fluorescein isothiourea) decamer 8 were synthesized with standard manual Boc-based chemistry. The interaction of the PNA-FITU with parallel and antiparallel DNA has been studied by stopped-flow fluorescence, which is proposed as an alternative technique to obtain the kinetic parameters of the binding. The great advantage of using the stopped-flow technique is the possibility of studying the kinetics of the PNA-DNA duplex formation in a physiological environment. In particular, fluorescence stopped-flow technique has been exploited to compare the affinity of two PNA-DNA duplexes since it can discriminate between parallel and antiparallel DNA binding.

  13. Exact relativistic kinetic theory of an electron beam-plasma system: hierarchy of the competing modes in the system parameter space

    CERN Document Server

    Bret, A; Benisti, D; Lefebvre, E

    2008-01-01

    Besides being one of the most fundamental basic issues of plasma physics, the stability analysis of an electron beam-plasma system is of critical relevance in many areas of physics. Surprisingly, decades of extensive investigation had not yet resulted in a realistic unified picture of the multidimensional unstable spectrum within a fully relativistic and kinetic framework. All attempts made so far in this direction were indeed restricted to simplistic distribution functions and/or did not aim at a complete mapping of the beam-plasma parameter space. The present paper comprehensively tackles this problem by implementing an exact linear model. We show that three kinds of modes compete in the linear phase, which can be classified according to the direction of their wavenumber with respect to the beam. We then determine their respective domain of preponderance in a three-dimensional parameter space. All these results are supported by multidimensional particle-in-cell simulations.

  14. Errors in Sounding of the Atmosphere Using Broadband Emission Radiometry (SABER) Kinetic Temperature Caused by Non-Local Thermodynamic Equilibrium Model Parameters

    Science.gov (United States)

    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.

  15. Kinetic modeling of light limitation and sulfur deprivation effects in the induction of hydrogen production with Chlamydomonas reinhardtii: Part I. Model development and parameter identification.

    Science.gov (United States)

    Fouchard, Swanny; Pruvost, Jérémy; Degrenne, Benoit; Titica, Mariana; Legrand, Jack

    2009-01-01

    Chlamydomonas reinhardtii is a green microalga capable of turning its metabolism towards H2 production under specific conditions. However this H2 production, narrowly linked to the photosynthetic process, results from complex metabolic reactions highly dependent on the environmental conditions of the cells. A kinetic model has been developed to relate culture evolution from standard photosynthetic growth to H2 producing cells. It represents transition in sulfur-deprived conditions, known to lead to H2 production in Chlamydomonas reinhardtii, and the two main processes then induced which are an over-accumulation of intracellular starch and a progressive reduction of PSII activity for anoxia achievement. Because these phenomena are directly linked to the photosynthetic growth, two kinetic models were associated, the first (one) introducing light dependency (Haldane type model associated to a radiative light transfer model), the second (one) making growth a function of available sulfur amount under extracellular and intracellular forms (Droop formulation). The model parameters identification was realized from experimental data obtained with especially designed experiments and a sensitivity analysis of the model to its parameters was also conducted. Model behavior was finally studied showing interdependency between light transfer conditions, photosynthetic growth, sulfate uptake, photosynthetic activity and O2 release, during transition from oxygenic growth to anoxic H2 production conditions.

  16. The effect of organic solvents on enzyme kinetic parameters of human CYP3A4 and CYP1A2 in vitro.

    Science.gov (United States)

    Rokitta, Dennis; Pfeiffer, Kay; Streich, Christina; Gerwin, Henrik; Fuhr, Uwe

    2013-10-01

    Abstract Enzyme kinetic parameters provide essential quantitative information about characterization of individual steps in drug metabolism. Such enzymes are located in a (partially) aqueous environment. For in vitro measurements potential lipophilic substrates regularly require organic solvents to achieve concentrations sufficient for access of the drug to the binding site of the enzyme. However, solvents may interact with the enzymes. In this study, we investigated the effects of methanol, ethanol, acetonitrile and dimethyl sulfoxide (1% to 4%) on the assessment of km, Vmax and Clint for the metabolism of midazolam via CYP3A4 to 1-hydroxymidazolam and the metabolism of caffeine to paraxanthine via CYP1A2 using expressed enzymes in vitro. The presence of acetonitrile proved the highest apparent Vmax value for paraxanthine formation but the lowest values for 1-hydroxymidazolam formation. The km value for midazolam showed no systematic effects of organic solvents, while for caffeine km was up to 8-fold lower for solvent free samples compared to solvent containing samples. The present example suggests that effects of solvents may considerably influence enzyme kinetic parameters beyond a mere change in apparent activity. These effects illustrate a difference for individual enzyme--substrate pairs, solvents, and solvent concentrations. What remains is the determination to which extent these effects compromise in vitro-in vivo extrapolations, and which solvents are most appropriate.

  17. Macroscopic characterization of cell electroporation in biological tissue based on electrical measurements

    Science.gov (United States)

    Cima, Lionel F.; Mir, Lluis M.

    2004-11-01

    A method is described to experimentally determine the temporal evolution of state variables involved in the electroporation of biological tissue, i.e., the transmembrane voltage and the macroscopic current flowing in the electropores. Indeed, the electrical parameters of the extracellular, intracellular, and unaltered membrane contributions as well as the electropores electrical characteristics can be deduced from the measurement of the tissue bioimpedance and from the variations of both the macroscopic voltage applied to the tissue and the delivered current.

  18. Macroscopic quasilinear theory of parallel electron firehose instability associated with solar wind electrons

    Science.gov (United States)

    Sarfraz, M.; Yoon, P. H.; Saeed, Sundas; Abbas, G.; Shah, H. A.

    2017-01-01

    A number of different microinstabilities are known to be responsible for regulating the upper bound of temperature anisotropies in solar wind protons, alpha particles, and electrons. In the present paper, quasilinear kinetic theory is employed to investigate the time variation in electron temperature anisotropies in response to the excitation of parallel electron firehose instability in homogeneous and non-collisional solar wind plasma under the condition of T∥e>T⊥e . By assuming the bi-Maxwellian form of velocity distribution functions, various velocity moments of the particle kinetic equation are taken in order to reduce the theory to macroscopic model in which the wave-particle interaction is incorporated, hence, the macroscopic quasilinear theory. The threshold condition for the parallel electron firehose instability, empirically constructed as a curve in (β∥e,T⊥e/T∥e) phase space, is implicit in the present macroscopic quasilinear calculation. Even though the present calculation excludes the oblique firehose instability, which is known to possess a higher growth rate, the basic methodology may be further extended to include such a mode. Among the findings is that the parallel electron firehose instability dynamically couples the electrons and protons, which implies that this instability may be important for overall solar wind dynamics. The present analysis shows that the macroscopic quasilinear approach may eventually be incorporated in global-kinetic models of the solar wind electrons and ions.

  19. Swelling/deswelling of polyacrylamide gels in aqueous NaCl solution: Light scattering and macroscopic swelling study

    Indian Academy of Sciences (India)

    M Sivanantham; B V R Tata

    2012-09-01

    Swelling kinetics of water-swollen polyacrylamide (PAAm) hydrogels (WSG) was investigated in various concentrations of aqueous NaCl by macroscopic swelling measurements. For lower concentration of NaCl, WSG showed exponential swelling whereas at higher concentration of NaCl it underwent deswelling at short times and exponential swelling at long times. From these studies, collective diffusion coefficient, , of the polymer network and polymer–solvent interaction parameter, , were calculated and found to decrease with increase in [NaCl]. Collective diffusion coefficients measured from dynamic light scattering (DLS) and that obtained from macroscopic swelling measurements are found to agree well. Measured ensemble-averaged dynamic structure factor (, ) for WSG and salt-swollen gels (SSG) showed an initial decay followed by a plateau at long times and it can be described by harmonically bound Brownian particle (HBBP) model. Enhanced scattering intensity at low scattering angles using static light scattering (SLS) measurements revealed the presence of inhomogeneities in PAAm gels. The reasons for increased scattering intensity of SSG over WSG gel and the linear decrease of with increase in NaCl concentration are explained.

  20. Non-Isothermal Kinetics.

    Science.gov (United States)

    Brown, M. E.; Phillpotts, C. A. R.

    1978-01-01

    Discusses the principle of nonisothermal kinetics and some of the factors involved in such reactions, especially when considering the reliability of the kinetic parameters, compared to those of isothermal conditions. (GA)

  1. A comparison of macroscopic models describing the collective response of sedimenting rod-like particles in shear flows

    KAUST Repository

    Helzel, Christiane

    2016-07-22

    We consider a kinetic model, which describes the sedimentation of rod-like particles in dilute suspensions under the influence of gravity, presented in Helzel and Tzavaras (submitted for publication). Here we restrict our considerations to shear flow and consider a simplified situation, where the particle orientation is restricted to the plane spanned by the direction of shear and the direction of gravity. For this simplified kinetic model we carry out a linear stability analysis and we derive two different nonlinear macroscopic models which describe the formation of clusters of higher particle density. One of these macroscopic models is based on a diffusive scaling, the other one is based on a so-called quasi-dynamic approximation. Numerical computations, which compare the predictions of the macroscopic models with the kinetic model, complete our presentation.

  2. Macroscopic Quantum Phenomena from the Correlation, Coupling and Criticality Perspectives

    Science.gov (United States)

    Chou, C. H.; Hu, B. L.; Subaşi, Y.

    2011-12-01

    In this sequel paper we explore how macroscopic quantum phenomena can be measured or understood from the behavior of quantum correlations which exist in a quantum system of many particles or components and how the interaction strengths change with energy or scale, under ordinary situations and when the system is near its critical point. We use the nPI (master) effective action related to the Boltzmann-BBGKY / Schwinger-Dyson hierarchy of equations as a tool for systemizing the contributions of higher order correlation functions to the dynamics of lower order correlation functions. Together with the large N expansion discussed in our first paper [1] we explore 1) the conditions whereby an H-theorem is obtained, which can be viewed as a signifier of the emergence of macroscopic behavior in the system. We give two more examples from past work: 2) the nonequilibrium dynamics of N atoms in an optical lattice under the large Script N (field components), 2PI and second order perturbative expansions, illustrating how N and Script N enter in these three aspects of quantum correlations, coherence and coupling strength. 3) the behavior of an interacting quantum system near its critical point, the effects of quantum and thermal fluctuations and the conditions under which the system manifests infrared dimensional reduction. We also discuss how the effective field theory concept bears on macroscopic quantum phenomena: the running of the coupling parameters with energy or scale imparts a dynamical-dependent and an interaction-sensitive definition of 'macroscopia'.

  3. Evaluation of Tafel-Volmer kinetic parameters for the hydrogen oxidation reaction on Pt(1 1 0) electrodes

    Science.gov (United States)

    Mann, R. F.; Thurgood, C. P.

    2011-05-01

    Modelling of PEM fuel cells has long been an active research area to improve understanding of cell and stack operation, facilitate design improvements and support simulation studies. The prediction of activation polarization in most PEM models has concentrated on the cathode losses since anode losses are commonly much smaller and tend to be ignored. Further development of the anode activation polarization term is being undertaken to broaden the application and usefulness of PEM models in general. Published work on the kinetics of the hydrogen oxidation reaction (HOR) using Pt(h k l) electrodes in dilute H2SO4 has been recently reassessed and published. Correlations for diffusion-free exchange current densities were developed and empirical predictive equations for the anode activation polarization were proposed for the experimental conditions of the previously published work: Pt(1 0 0), Pt(1 1 0) and Pt(1 1 1) electrodes, pH2 of 1 atm, and temperatures of 1, 30 and 60 °C. It was concluded that the HOR on Pt(1 1 0) electrodes followed a Tafel-Volmer reaction sequence. The aim of the present paper is to generalize these Tafel-Volmer correlations, apply them to published data for Pt(1 1 0) electrodes and further develop the modelling of anode activation polarization over the range of operating conditions found in PEMFC operation.

  4. Kinetic parameters and monomeric conversion of different dental composites using standard and soft-start photoactivation modes

    Science.gov (United States)

    Denis, A. B.; Viana, R. B.; Plepis, A. M. G.

    2012-06-01

    This paper evaluates the photopolymerization kinetics and degree of conversion of different commercial dental composites when photoactivated by a LED curing unit using two different modes (standard and soft-start mode). The investigation was performed on with RelyX ARC (dual-cured), Filtek Z-350 (Nanocomposite), Filtek Z-250 (Hybrid), and Filtek Z-350flow (Flowable) resin composites. The analysis used was attenuated total reflection with a Fourier transform infrared (ATR-FTIR). The RelyX ARC resin demonstrated the highest degree of conversion with both LED photoactivation modes. For this resin a 28% decrease in maximum rate was observed and the time to reach its highest rate was almost 2.3 times higher than when the soft-start photoactivation light curing was used. Z-350flow resin recorder a higher maximum rate using the soft-start mode rather than the standard mode. In contrast, the Z-250 showed a higher value using the standard mode. Although Z-250 and Z-350 showed a higher total degree of conversion effectiveness using the soft-start mode, RelyX and Z-350flow achieved a higher value using the standard mode.

  5. Chemical modification and pH dependence of kinetic parameters to identify functional groups in a glucosyltransferase from Strep. Mutans

    Energy Technology Data Exchange (ETDEWEB)

    Bell, J.E.; Leone, A.; Bell, E.T.

    1986-05-01

    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 /sup 14/C 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.

  6. Quality changes of pasteurised orange juice during storage: A kinetic study of specific parameters and their relation to colour instability.

    Science.gov (United States)

    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.

  7. Macroscopic optical response and photonic bands

    CERN Document Server

    Perez-Huerta, J S; Mendoza, Bernardo S; Mochan, W Luis

    2012-01-01

    We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well defined dielectric function. The nature of these dielectric functions is arbitrary, and could correspond to dielectric or conducting, transparent or opaque, absorptive and dispersive materials. The geometry of the particles and the Bravais lattice of the composite are also arbitrary. Our formalism goes beyond the longwavelenght approximation as it fully incorporates retardation effects. We test our formalism through the study the propagation of electromagnetic waves in 2D photonic crystals made of periodic arrays of cylindrical holes in a dispersionless dielectric host. Our macroscopic theory yields a spatially dispersive macroscopic response which allows the calculation of the full photonic band structure of the system, as well as the characterization of its normal modes, upo...

  8. A macroscopic challenge for quantum spacetime

    CERN Document Server

    Amelino-Camelia, Giovanni

    2013-01-01

    Over the last decade a growing number of quantum-gravity researchers has been looking for opportunities for the first ever experimental evidence of a Planck-length quantum property of spacetime. These studies are usually based on the analysis of some candidate indirect implications of spacetime quantization, such as a possible curvature of momentum space. Some recent proposals have raised hope that we might also gain direct experimental access to quantum properties of spacetime, by finding evidence of limitations to the measurability of the center-of-mass coordinates of some macroscopic bodies. However I here observe that the arguments that originally lead to speculating about spacetime quantization do not apply to the localization of the center of mass of a macroscopic body. And I also analyze some popular formalizations of the notion of quantum spacetime, finding that when the quantization of spacetime is Planckian for the constituent particles then for the composite macroscopic body the quantization of spa...

  9. On Macroscopic Complexity and Perceptual Coding

    CERN Document Server

    Scoville, John

    2010-01-01

    While Shannon information establishes limits to the universal data compression of binary data, no existing theory provides an equivalent characterization of the lossy data compression algorithms prevalent in audiovisual media. The current paper proposes a mathematical framework for perceptual coding and inference which quantifies the complexity of objects indistinguishable to a particular observer. A definition of the complexity is presented and related to a generalization of Boltzmann entropy for these equivalence classes. When the classes are partitions of phase space, corresponding to classical observations, this is the proper Boltzmann entropy and the macroscopic complexity agrees with the Algorithmic Entropy. For general classes, the macroscopic complexity measure determines the optimal lossy compression of the data. Conversely, perceptual coding algorithms may be used to construct upper bounds on certain macroscopic complexities. Knowledge of these complexities, in turn, allows perceptual inference whic...

  10. Nanoplasmon-enabled macroscopic thermal management

    CERN Document Server

    Jonsson, Gustav Edman; Dmitriev, Alexandre

    2013-01-01

    In numerous applications of energy harvesting via transformation of light into heat the focus recently shifted towards highly absorptive materials featuring nanoplasmons. It is currently established that noble metals-based absorptive plasmonic platforms deliver significant light-capturing capability and can be viewed as super-absorbers of optical radiation. However, direct experimental evidence of plasmon-enabled macroscopic temperature increase that would result from these efficient absorptive properties is scarce. Here we derive a general quantitative method of characterizing light-capturing properties of a given heat-generating absorptive layer by macroscopic thermal imaging. We further monitor macroscopic areas that are homogeneously heated by several degrees with plasmon nanostructures that occupy a mere 8% of the surface, leaving it essentially transparent and evidencing significant heat generation capability of nanoplasmon-enabled light capture. This has a direct bearing to thermophotovoltaics and othe...

  11. Global kinetic rate parameters for the formation of polycyclic aromatic hydrocarbons from the pyrolyis of catechol, a model compound representative of solid fuel moieties

    Energy Technology Data Exchange (ETDEWEB)

    E.B. Ledesma; N.D. Marsh; A.K. Sandrowitz; M.J. Wornat [Princeton University, Princeton, NJ (United States). Department of Mechanical and Aerospace Engineering

    2002-12-01

    To obtain kinetic parameters on PAH formation relevant to solid fuels combustion, pyrolysis experiments have been conducted with catechol, a model fuel representing entities in coal and biomass. Catechol pyrolysis experiments were performed in a tubular-flow reactor at temperatures of 500-1000{sup o}C and at a residence time of 0.4 s. PAH products were identified and quantified by high-pressure liquid chromatography with ultraviolet-visible diode-array detection and by gas chromatography with flame ionization and mass spectrometric detection. A pseudo-unimolecular reaction kinetic model was used to model the experimental yield/temperature data of 15 individual aromatics and of combinations of PAH grouped by structural class and ring-number. The modeling of the individual species' yields showed that the pseudo-unimolecular model agreed very well with the experimental data. E{sub a} values ranged from 50 to 110 kcal mol{sup -1}, generally increasing as the size of the aromatic product increased from one to five aromatic rings. The pseudo-unimolecular model also performed well in modeling the experimental yields of PAH grouped by structural class and ring number. The global kinetic analysis results for PAH grouped by ring number revealed that E{sub a} values increased in the following order: 2-ring {lt} 3-ring {lt} 4-ring {lt} 5-ring {lt} 6-ring. Their yields followed the reverse order: 2-ring {lt} 3-ring {lt} 4-ring {lt} 5-ring {lt} 6-ring. These trends of increasing E{sub a} and decreasing yield, as ring number is increased, are consistent with a mechanism for PAH growth involving successive ring buildup reactions. 39 refs., 6 figs., 3 tabs.

  12. Calculation of reactivities using ionization chamber currents with different sets of kinetic parameters for reduced scram system efficiency in the VVER-1000 of the third unit of the Kalinin nuclear power plant at the stage of physical start-up

    Energy Technology Data Exchange (ETDEWEB)

    Zizin, M. N., E-mail: zizin@adis.vver.kiae.ru [Russian Research Centre Kurchatov Institute (Russian Federation); Zizina, S. N.; Kryakvin, L. V.; Pitilimov, V. A.; Tereshonok, V. A. [JSC VNIIAES (Russian Federation)

    2011-12-15

    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 2{beta}. The problems of introducing corrections due to spatial effects are not considered in this study.

  13. Influence of instrumental parameters on the kinetic energy of ions and plasma temperature for a hexapole collision/reaction-cell-based inductively coupled plasma quadrupole mass spectrometer.

    Science.gov (United States)

    Favre, Georges; Brennetot, René; Chartier, Frédéric; Tortajada, Jeanine

    2009-02-01

    Inductively coupled plasma mass spectrometry (ICP-MS) is widely used in inorganic analytical chemistry for element and/or isotope ratio measurements. The presence of interferences, which is one of the main limitations of this method, has been addressed in recent years with the introduction of collision/reaction cell devices on ICP-MS apparatus. The study of ion-molecule reactions in the gas phase then became of great importance for the development of new analytical strategies. Knowing the kinetic energy and the electronic states of the ions prior to their entrance into the cell, i.e., just before they react, thereby constitutes crucial information for the interpretation of the observed reactivities. Such studies on an ICP-MS commonly used for routine analyses require the determination of the influence of different instrumental parameters on the energy of the ions and on the plasma temperature from where ions are sampled. The kinetic energy of ions prior to their entrance into the cell has been connected to the voltage applied to the hexapole according to a linear relationship determined from measurements of ion energy losses due to collisions with neutral gas molecules. The effects of the plasma forward power, sampling depth, and the addition of a torch shield to the ICP source were then examined. A decrease of the plasma potential due to the torch shielding, already mentioned in the literature, has been quantified in this study at about 3 V.

  14. Photocatalytic parameters and kinetic study for degradation of dichlorophenol-indophenol (DCPIP) dye using highly active mesoporous TiO2 nanoparticles.

    Science.gov (United States)

    Hamad, H A; Sadik, W A; Abd El-Latif, M M; Kashyout, A B; Feteha, M Y

    2016-05-01

    Highly active mesoporous TiO2 of about 6nm crystal size and 280.7m(2)/g specific surface areas has been successfully synthesized via controlled hydrolysis of titanium butoxide at acidic medium. It was characterized by means of XRD (X-ray diffraction), SEM (scanning electron microscopy), TEM (transmission electron microscopy), FT-IR (Fourier transform infrared spectroscopy), TGA (thermogravimetric analysis), DSC (differential scanning calorimetry) and BET (Brunauer-Emmett-Teller) surface area. The degradation of dichlorophenol-indophenol (DCPIP) under ultraviolet (UV) light was studied to evaluate the photocatalytic activity of samples. The effects of different parameters and kinetics were investigated. Accordingly, a complete degradation of DCPIP dye was achieved by applying the optimal operational conditions of 1g/L of catalyst, 10mg/L of DCPIP, pH of 3 and the temperature at 25±3°C after 3min under UV irradiation. Meanwhile, the Langmuir-Hinshelwood kinetic model described the variations in pure photocatalytic branch in consistent with a first order power law model. The results proved that the prepared TiO2 nanoparticle has a photocatalytic activity significantly better than Degussa P-25.

  15. Violation of smooth observable macroscopic realism in a harmonic oscillator.

    Science.gov (United States)

    Leshem, Amir; Gat, Omri

    2009-08-14

    We study the emergence of macrorealism in a harmonic oscillator subject to consecutive measurements of a squeezed action. We demonstrate a breakdown of dynamical realism in a wide parameter range that is maximized in a scaling limit of extreme squeezing, where it is based on measurements of smooth observables, implying that macroscopic realism is not valid in the harmonic oscillator. We propose an indirect experimental test of these predictions with entangled photons by demonstrating that local realism in a composite system implies dynamical realism in a subsystem.

  16. Modelling and simulations of macroscopic multi-group pedestrian flow

    CERN Document Server

    Mahato, Naveen K; Tiwari, Sudarshan

    2016-01-01

    We consider a multi-group microscopic model for pedestrian flow describing the behaviour of large groups. It is based on an interacting particle system coupled to an eikonal equation. Hydrodynamic multi-group models are derived from the underlying particle system as well as scalar multi-group models. The eikonal equation is used to compute optimal paths for the pedestrians. Particle methods are used to solve the macroscopic equations. Numerical test cases are investigated and the models and, in particular, the resulting evacuation times are compared for a wide range of different parameters.

  17. Simulation of root water uptake. I. Non-uniform transient salinity using different macroscopic reduction functions

    NARCIS (Netherlands)

    Homaee, M.; Dirksen, C.; Feddes, R.A.

    2002-01-01

    A macroscopic root extraction model was used with four different reduction functions for salinity stress in the numerical simulation model HYSWASOR. Most of the parameter values originally proposed for these functions did not provide good agreement with the experimental data. Therefore, the paramete

  18. Plant-mediated biosynthesis of silver nanoparticles by leaf extracts of Lasienthra africanum and a study of the influence of kinetic parameters

    Indian Academy of Sciences (India)

    ELIAS E ELEMIKE; DAMIAN C ONWUDIWE; OLAYINKA ARIJEH; HENRY U NWANKWO

    2017-02-01

    Lasienthra africanum (LA) leaf extract was employed for nano-silver synthesis. The reducing effect of the plant extract was investigated at different times, pH, temperatures and concentrations. The effect of variouskinetic parameters was studied using UV–vis spectroscopy. Blue-shifted surface plasmon bands indicating smaller sized nanoparticles were obtained at neutral pH (6.8–7.0), temperature of 65$^{\\circ}$C and concentration ratio of 1:10 (leafextract: AgNO$_3$) with increasing reaction times under the reaction conditions. The kinetics of the reaction followed pseudo-first- and -second-order rate equations, and was thermodynamically favoured at higher time. Sphericallyshaped nanoparticles were obtained at different reaction conditions.

  19. Comparison of the electronic properties, and thermodynamic and kinetic parameters of the aquation of selected platinum(II) derivatives with their anticancer IC50 indexes.

    Science.gov (United States)

    Bradác, Ondrej; Zimmermann, Tomás; Burda, Jaroslav V

    2008-08-01

    Three potential anticancer agents {trans-[PtCl(2)(NH(3))(thiazole)], cis-[PtCl(2)(NH(3))(piperidine)], and PtCl(2)(NH(3))(cyclohexylamine) (JM118)} were explored and compared with cisplatin and the inactive [PtCl(dien)](+) complex. Basic electronic properties, bonding and stabilization energies were determined, and thermodynamic and kinetic parameters for the aquation reaction were estimated at the B3LYP/6-311++G(2df,2pd) level of theory. Since the aquation process represents activation of these agents, the obtained rate constants were compared with the experimental IC(50) values for several tumor cells. Despite the fact that the processes in which these drugs are involved and the way in which they affect cells are very complex, some correlations can be deduced.

  20. Calculation of Reactor Kinetic Parameters with Monte Carlo Method%反应堆动态参数的蒙特卡罗计算研究

    Institute of Scientific and Technical Information of China (English)

    王冠博; 刘汉刚; 王侃; 刘永康; 曾和荣; 杨鑫

    2012-01-01

    Basic conceptions of kinetic parameters, including effective delayed neutron fraction (βeff), effective neutron generation time (Aeff) and a eigenvalue, and Monte Carlo calculation methods for these values are systematically introduced in this paper. Βeff is obtained with a "Prompt Method". Perturbation method is chosen to obtain Aeff. And then a eigenvalue is obtained by two ways, (I) prompt neutron density attenuation, in other words "direct simulation of time evolvement", (ii) indirect method using the result of kp and neutron generation time. Linear fitting is used to get the critical ac eigenvalues which match well with experimental ones. And uncertainties of kinetic parameters with different methods using Monte Carlo method are also analyzed.%介绍缓发中子有效份额(βeff)、有效中子代时间(∧eff)和α本征值的概念及其蒙特卡罗程序计算方法.采用Prompt Method方法计算得到βeff;微扰法得到∧eff;采用瞬发中子密度衰减直接拟合法和间接求解法得到α本征值;将各种反应性状态下的α拟合得到临界α本征值,并与实验测量的α,值进行比对,结果符合很好;并对动态参数蒙特卡罗程序计算的各种方法进行不确定度分析.

  1. Pre- and post- scission particle emission in 3D Langevin calculations with various macroscopic potentials

    Directory of Open Access Journals (Sweden)

    Mazurek K.

    2013-12-01

    Full Text Available The fission dynamics described by solving differential equations of the Langevin type in three dimensional space of the deformation parameters is very sensitive on the choice of the macroscopic components such as potential energy models. The mass or charge distribution or total kinetic energy has been already shown to be different when one uses the Finite Range Liquid Drop Model or Lublin - Strasbourg Drop model. Also the shape-dependent congruence or shape-dependent Wigner energy and A0 terms are important especially for the fission of medium mass nuclei. We would like to make step forward and answer the question about the varying of the post-scission multiplicity by including different PES. Up to now there are only few experimental data for the medium mass nuclei where the pre- and post- scission emission has been estimated and isotopic distributions have been shown. The isotopic distributions of the fission products for light compound nucleus such as 111 In with two beam energies (Ebeam = 10.6 AMeV and 5.9 AMeV and two heavy systems: 229Np with Ebeam = 7.4 AMeV and 260 No (Ebeam = 6 AMeV and 7.5 AMeV have been studied theoretically. The agreement with the experimental data is discussed.

  2. Separation of the Microscopic and Macroscopic Domains

    Science.gov (United States)

    Van Zandt, L. L.

    1977-01-01

    Examines the possibility of observing interference in quantum magnification experiments such as the celebrated "Schroedinger cat". Uses the possibility of observing interference for separating the realm of microscopic from macroscopic dynamics; estimates the dividing line to fall at system sizes of about 100 Daltons. (MLH)

  3. Macroscopic Modeling of Polymer-Electrolyte Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Weber, A.Z.; Newman, J.

    2007-04-01

    In this chapter, the various approaches for the macroscopic modeling of transport phenomena in polymer-electrolyte membranes are discussed. This includes general background and modeling methodologies, as well as exploration of the governing equations and some membrane-related topic of interest.

  4. Lozenge Tilings, Glauber Dynamics and Macroscopic Shape

    Science.gov (United States)

    Laslier, Benoît; Toninelli, Fabio Lucio

    2015-09-01

    We study the Glauber dynamics on the set of tilings of a finite domain of the plane with lozenges of side 1/ L. Under the invariant measure of the process (the uniform measure over all tilings), it is well known (Cohn et al. J Am Math Soc 14:297-346, 2001) that the random height function associated to the tiling converges in probability, in the scaling limit , to a non-trivial macroscopic shape minimizing a certain surface tension functional. According to the boundary conditions, the macroscopic shape can be either analytic or contain "frozen regions" (Arctic Circle phenomenon Cohn et al. N Y J Math 4:137-165, 1998; Jockusch et al. Random domino tilings and the arctic circle theorem, arXiv:math/9801068, 1998). It is widely conjectured, on the basis of theoretical considerations (Henley J Statist Phys 89:483-507, 1997; Spohn J Stat Phys 71:1081-1132, 1993), partial mathematical results (Caputo et al. Commun Math Phys 311:157-189, 2012; Wilson Ann Appl Probab 14:274-325, 2004) and numerical simulations for similar models (Destainville Phys Rev Lett 88:030601, 2002; cf. also the bibliography in Henley (J Statist Phys 89:483-507, 1997) and Wilson (Ann Appl Probab 14:274-325, 2004), that the Glauber dynamics approaches the equilibrium macroscopic shape in a time of order L 2+ o(1). In this work we prove this conjecture, under the assumption that the macroscopic equilibrium shape contains no "frozen region".

  5. Macroscopic invisibility cloaking of visible light

    DEFF Research Database (Denmark)

    Chen, Xianzhong; Luo, Y.; Zhang, Jingjing

    2011-01-01

    to a few wavelengths. Here, we report the first realization of a macroscopic volumetric invisibility cloak constructed from natural birefringent crystals. The cloak operates at visible frequencies and is capable of hiding, for a specific light polarization, three-dimensional objects of the scale...

  6. Assessment of the aerobic preparation and bottom ash addition as pretreatment steps before landfilling: impact on methanogenesis kinetics and leachate parameters.

    Science.gov (United States)

    Mansour, Alicia A; Motte, Antoine; Pallier, Virginie; Feuillade-Cathalifaud, Geneviève; Ponthieux, Arnaud

    2012-10-01

    This work focuses on assessing the impact of two types of waste pretreatment: addition of bottom ashes and aerobic pretreatment on both the onset and kinetics of methanogenesis and the evolution of different parameters in the leachate. It also studies the correlation between methane production and the different parameters measured in the leachate produced. A total of six 68-L pilots were thus used with fresh municipal solid waste (MSW) shredded to a 40-mm size. After 14 months of landfilling, the control has produced less than 10 NLkg(-1)DM, which corresponds to around 7% of its biochemical methane potential (BMP). Nevertheless, on one hand for aerobically pretreated waste, the lag phase before the onset of methanogenesis is significantly reduced to 0.9 month compared to more than 1 year for the control. In addition to that, on average 110 NLkg(-1)DM (90% of the BMP) is produced within around 6.5 months. On the other hand, the waste with added bottom ash shows a slight improvement of the lag phase over the control for one of the duplicate: 6.1 months of lag phase. At this stage, on average of 26 NLkg(-1)DM waste are detected (22% of the BMP) no final conclusion concerning the impact of bottom ashes could be made. The data obtained for the leachate parameters agrees with the observations on methane production. Statistical correlation study shows that the two components of the corrected PCA interpret 76% of the variability of the data: SUVA (specific UV absorbance at 254 nm) and HPI(*) (% of hydrophilic compounds) are identified as interesting parameters for following up the biodegradation in landfill conditions. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. A robust macroscopic model for normal-shear coupling, asymmetric and anisotropic behaviors of polycrystalline SMAs

    Science.gov (United States)

    Bodaghi, M.; Damanpack, A. R.; Liao, W. H.

    2016-07-01

    The aim of this article is to develop a robust macroscopic bi-axial model to capture self-accommodation, martensitic transformation/orientation/reorientation, normal-shear deformation coupling and asymmetric/anisotropic strain generation in polycrystalline shape memory alloys. By considering the volume fraction of martensite and its preferred direction as scalar and directional internal variables, constitutive relations are derived to describe basic mechanisms of accommodation, transformation and orientation/reorientation of martensite variants. A new definition is introduced for maximum recoverable strain, which allows the model to capture the effects of tension-compression asymmetry and transformation anisotropy. Furthermore, the coupling effects between normal and shear deformation modes are considered by merging inelastic strain components together. By introducing a calibration approach, material and kinetic parameters of the model are recast in terms of common quantities that characterize a uniaxial phase kinetic diagram. The solution algorithm of the model is presented based on an elastic-predictor inelastic-corrector return mapping process. In order to explore and demonstrate capabilities of the proposed model, theoretical predictions are first compared with existing experimental results on uniaxial tension, compression, torsion and combined tension-torsion tests. Afterwards, experimental results of uniaxial tension, compression, pure bending and buckling tests on {{NiTi}} rods and tubes are replicated by implementing a finite element method along with the Newton-Raphson and Riks techniques to trace non-linear equilibrium path. A good qualitative and quantitative correlation is observed between numerical and experimental results, which verifies the accuracy of the model and the solution procedure.

  8. Varietal differences in photosynthetic characters and chlorophyll fluorescence induction kinetics parameters among intergeneric progeny derived from Oryza×Sorghum, its parents, and hybrid rice

    Institute of Scientific and Technical Information of China (English)

    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.

  9. Insights into organogelation and its kinetics from Hansen solubility parameters. Toward a priori predictions of molecular gelation.

    Science.gov (United States)

    Diehn, Kevin K; Oh, Hyuntaek; Hashemipour, Reza; Weiss, Richard G; Raghavan, Srinivasa R

    2014-04-21

    Many small molecules can self-assemble by non-covalent interactions into fibrous networks and thereby induce gelation of organic liquids. However, no capability currently exists to predict whether a molecule in a given solvent will form a gel, a low-viscosity solution (sol), or an insoluble precipitate. Gelation has been recognized as a phenomenon that reflects a balance between solubility and insolubility; however, the distinction between these regimes has not been quantified in a systematic fashion. In this work, we focus on a well-known gelator, 1,3:2,4-dibenzylidene sorbitol (DBS), and study its self-assembly in various solvents. From these data, we build a framework for DBS gelation based on Hansen solubility parameters (HSPs). While the HSPs for DBS are not known a priori, the HSPs are available for each solvent and they quantify the solvent's ability to interact via dispersion, dipole-dipole, and hydrogen bonding interactions. Using the three HSPs, we construct three-dimensional plots showing regions of solubility (S), slow gelation (SG), instant gelation (IG), and insolubility (I) for DBS in the different solvents at a given temperature and concentration. Our principal finding is that the above regions radiate out as concentric shells: i.e., a central solubility (S) sphere, followed in order by spheres corresponding to SG, IG, and I regions. The distance (R0) from the origin of the central sphere quantifies the incompatibility between DBS and a solvent-the larger this distance, the more incompatible the pair. The elastic modulus of the final gel increases with R0, while the time required for a super-saturated sol to form a gel decreases with R0. Importantly, if R0 is too small, the gels are weak, but if R0 is too large, insolubility occurs-thus, strong gels fall within an optimal window of incompatibility between the gelator and the solvent. Our approach can be used to design organogels of desired strength and gelation time by judicious choice of a

  10. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  11. Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

    Science.gov (United States)

    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.

  12. The influence of dose on the kinetic parameters and dosimetric features of the main thermoluminescence glow peak in α-Al2O3:C,Mg

    Science.gov (United States)

    Kalita, J. M.; Chithambo, M. L.

    2017-03-01

    The influence of dose (0.1-100 Gy) on the kinetic parameters and the dosimetric features of the main glow peak of α-Al2O3:C,Mg have been investigated. Thermoluminescence (TL) measured at 1 °C/s shows a very high intensity glow peak at 161 °C and six secondary peaks at 42, 72, 193, 279, 330, 370 °C respectively. Analysis shows that the main peak follows first order kinetics irrespective of the irradiation dose. The activation energy is found to be consistent at 1.37 eV and the frequency factor is of the order of 1014 s-1 for any dose between 0.1 and 100 Gy. Further, the analysis for thermal quenching of the main peak of 0.1 Gy irradiated sample shows that the activation energy for thermal quenching is (0.94 ± 0.04) eV. Regarding the dosimetric features of α-Al2O3:C,Mg, the dose response of the main peak is superlinear within 0.1 to 30 Gy of beta dose and then it becomes sublinear up to 100 Gy. Fading analysis shows that the intensity of the main peak drops to ∼22% of its initial value within 2400 s after irradiation and thereafter to ∼14% within 64,800 s. Analysis of the reproducibility shows that the coefficient of variation in the results for 10 identical TL measurements show that reproducibility improves with increase in dose.

  13. Time profiles and toxicokinetic parameters of key biomarkers of exposure to cypermethrin in orally exposed volunteers compared with previously available kinetic data following permethrin exposure.

    Science.gov (United States)

    Ratelle, Mylène; Coté, Jonathan; Bouchard, Michèle

    2015-12-01

    Biomonitoring of pyrethroid exposure is largely conducted but human toxicokinetics has not been fully documented. This is essential for a proper interpretation of biomonitoring data. Time profiles and toxicokinetic parameters of key biomarkers of exposure to cypermethrin in orally exposed volunteers have been documented and compared with previously available kinetic data following permethrin dosing. Six volunteers ingested 0.1 mg kg(-1) bodyweight of cypermethrin acutely. The same volunteers were exposed to permethrin earlier. Blood samples were taken over 72 h after treatment and complete timed urine voids were collected over 84 h postdosing. Cis- and trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acids (trans- and cis-DCCA) and 3-phenoxybenzoic acid (3-PBA) metabolites, common to both cypermethrin and permethrin, were quantified. Blood and urinary time courses of all three metabolites were similar following cypermethrin and permethrin exposure. Plasma levels of metabolites reached peak values on average ≈ 5-7 h post-dosing; the elimination phase showed mean apparent half-lives (t½ ) for trans-DCCA, cis-DCCA and 3-PBA of 5.1, 6.9 and 9.2 h, respectively, following cypermethrin treatment as compared to 7.1, 6.2 and 6.5 h after permethrin dosing. Corresponding mean values obtained from urinary rate time courses were peak values at ≈ 9 h post-dosing and apparent elimination t½ of 6.3, 6.4 and 6.4 h for trans-DCCA, cis-DCCA and 3-PBA, respectively, following cypermethrin treatment as compared to 5.4, 4.5 and 5.7 h after permethrin dosing. These data confirm that the kinetics of cypermethrin is similar to that of permethrin in humans and that their common biomarkers of exposure may be used for an overall assessment of exposure.

  14. Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

    KAUST Repository

    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.

  15. Macroscopic quantum mechanics in a classical spacetime.

    Science.gov (United States)

    Yang, Huan; Miao, Haixing; Lee, Da-Shin; Helou, Bassam; Chen, Yanbei

    2013-04-26

    We apply the many-particle Schrödinger-Newton equation, which describes the coevolution of a many-particle quantum wave function and a classical space-time geometry, to macroscopic mechanical objects. By averaging over motions of the objects' internal degrees of freedom, we obtain an effective Schrödinger-Newton equation for their centers of mass, which can be monitored and manipulated at quantum levels by state-of-the-art optomechanics experiments. For a single macroscopic object moving quantum mechanically within a harmonic potential well, its quantum uncertainty is found to evolve at a frequency different from its classical eigenfrequency-with a difference that depends on the internal structure of the object-and can be observable using current technology. For several objects, the Schrödinger-Newton equation predicts semiclassical motions just like Newtonian physics, yet quantum uncertainty cannot be transferred from one object to another.

  16. Macroscopic Invisibility Cloaking of Visible Light

    CERN Document Server

    Chen, Xianzhong; Zhang, Jingjing; Jiang, Kyle; Pendry, John B; Zhang, Shuang

    2010-01-01

    Invisibility cloaks of light, which used to be confined to the imagination, have now been turned into a scientific reality, thanks to the enabling theoretical tools of transformation optics and conformal mapping. Inspired by those theoretical works, the experimental realisation of electromagnetic invisibility cloaks has been reported at various electromagnetic frequencies. All the invisibility cloaks demonstrated thus far, however, have relied on nano- or micro-fabricated artificial composite materials with spatially varying electromagnetic properties, which limit the size of the cloaked region to a few wavelengths. Here we report realisation of a macroscopic volumetric invisibility cloak constructed from natural birefringent crystals. The cloak operates at visible frequencies and is capable of hiding three-dimensional objects of the scale of centimetres and millimetres. Our work opens avenues for future applications with macroscopic cloaking devices.

  17. Macroscopic spin and charge transport theory

    Institute of Scientific and Technical Information of China (English)

    Li Da-Fang; Shi Jun-Ren

    2009-01-01

    According to the general principle of non-equilibrium thermodynamics, we propose a set of macroscopic transport equations for the spin transport and the charge transport. In particular, the spin torque is introduced as a generalized 'current density' to describe the phenomena associated with the spin non-conservation in a unified framework. The Einstein relations and the Onsager relations between different transport phenomena are established. Specifically, the spin transport properties of the isotropic non-magnetic and the isotropic magnetic two-dimensional electron gases are fully described by using this theory, in which only the macroscopic-spin-related transport phenomena allowed by the symmetry of the system are taken into account.

  18. Macroscopic entrainment of periodically forced oscillatory ensembles.

    Science.gov (United States)

    Popovych, Oleksandr V; Tass, Peter A

    2011-03-01

    Large-amplitude oscillations of macroscopic neuronal signals, such as local field potentials and electroencephalography or magnetoencephalography signals, are commonly considered as being generated by a population of mutually synchronized neurons. In a computational study in generic networks of phase oscillators and bursting neurons, however, we show that this common belief may be wrong if the neuronal population receives an external rhythmic input. The latter may stem from another neuronal population or an external, e.g., sensory or electrical, source. In that case the population field potential may be entrained by the rhythmic input, whereas the individual neurons are phase desynchronized both mutually and with their field potential. Intriguingly, the corresponding large-amplitude oscillations of the population mean field are generated by pairwise desynchronized neurons oscillating at frequencies shifted far away from the frequency of the macroscopic field potential.

  19. Adsorption modeling for macroscopic contaminant dispersal analysis

    Energy Technology Data Exchange (ETDEWEB)

    Axley, J.W.

    1990-05-01

    Two families of macroscopic adsorption models are formulated, based on fundamental principles of adsorption science and technology, that may be used for macroscopic (such as whole-building) contaminant dispersal analysis. The first family of adsorption models - the Equilibrium Adsorption (EA) Models - are based upon the simple requirement of equilibrium between adsorbent and room air. The second family - the Boundary Layer Diffusion Controlled Adsorption (BLDC) Models - add to the equilibrium requirement a boundary layer model for diffusion of the adsorbate from the room air to the adsorbent surface. Two members of each of these families are explicitly discussed, one based on the linear adsorption isotherm model and the other on the Langmuir model. The linear variants of each family are applied to model the adsorption dynamics of formaldehyde in gypsum wall board and compared to measured data.

  20. Macroscopic Invisible Cloak for Visible Light

    CERN Document Server

    Zhang, Baile; Liu, Xiaogang; Barbastathis, George

    2011-01-01

    Invisibility cloaks, a subject that usually occurs in science fiction and myths, have attracted wide interest recently because of their possible realization. The biggest challenge to true invisibility is known to be the cloaking of a macroscopic object in the broad range of wavelengths visible to the human eye. Here we experimentally solve this problem by incorporating the principle of transformation optics into a conventional optical lens fabrication with low-cost materials and simple manufacturing techniques. A transparent cloak made of two pieces of calcite is created. This cloak is able to conceal a macroscopic object with a maximum height of 2 mm, larger than 3500 free-space-wavelength, inside a transparent liquid environment. Its working bandwidth encompassing red, green and blue light is also demonstrated.

  1. Macroscopic Quantum Resonators (MAQRO): 2015 update

    Energy Technology Data Exchange (ETDEWEB)

    Kaltenbaek, Rainer [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Aspelmeyer, Markus; Kiesel, Nikolai [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Barker, Peter F.; Bose, Sougato [University College London, Department of Physics and Astronomy, London (United Kingdom); Bassi, Angelo [University of Trieste, Department of Physics, Trieste (Italy); INFN - Trieste Section, Trieste (Italy); Bateman, James [University of Swansea, Department of Physics, College of Science, Swansea (United Kingdom); Bongs, Kai; Cruise, Adrian Michael [University of Birmingham, School of Physics and Astronomy, Birmingham (United Kingdom); Braxmaier, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Brukner, Caslav [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Christophe, Bruno; Rodrigues, Manuel [The French Aerospace Lab, ONERA, Chatillon (France); Chwalla, Michael; Johann, Ulrich [Airbus Defence and Space GmbH, Immenstaad (Germany); Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge [ENS-PSL Research University, Laboratoire Kastler Brossel, UPMC-Sorbonne Universites, CNRS, College de France, Paris (France); Curceanu, Catalina [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Dholakia, Kishan; Mazilu, Michael [University of St. Andrews, School of Physics and Astronomy, St. Andrews (United Kingdom); Diosi, Lajos [Wigner Research Center for Physics, P.O. Box 49, Budapest (Hungary); Doeringshoff, Klaus; Peters, Achim [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Ertmer, Wolfgang; Rasel, Ernst M. [Leibniz Universitaet Hannover, Institut fuer Quantenoptik, Hannover (Germany); Gieseler, Jan; Novotny, Lukas; Rondin, Loic [ETH Zuerich, Photonics Laboratory, Zuerich (Switzerland); Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Hechenblaikner, Gerald [Airbus Defence and Space GmbH, Immenstaad (Germany); European Southern Observatory (ESO), Garching bei Muenchen (Germany); Hossenfelder, Sabine [KTH Royal Institute of Technology and Stockholm University, Nordita, Stockholm (Sweden); Kim, Myungshik [Imperial College London, QOLS, Blackett Laboratory, London (United Kingdom); Milburn, Gerard J. [University of Queensland, ARC Centre for Engineered Quantum Systems, Brisbane (Australia); Mueller, Holger [University of California, Department of Physics, Berkeley, CA (United States); Paternostro, Mauro [Queen' s University, Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Belfast (United Kingdom); Pikovski, Igor [Harvard-Smithsonian Center for Astrophysics, ITAMP, Cambridge, MA (United States); Pilan Zanoni, Andre [Airbus Defence and Space GmbH, Immenstaad (Germany); CERN - European Organization for Nuclear Research, EN-STI-TCD, Geneva (Switzerland); Riedel, Charles Jess [Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Roura, Albert [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Schleich, Wolfgang P. [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Texas A and M University Institute for Advanced Study (TIAS), Institute for Quantum Science and Engineering (IQSE), and Department of Physics and Astronomy, College Station, TX (United States); Schmiedmayer, Joerg [Vienna University of Technology, Vienna Center for Quantum Science and Technology, Institute of Atomic and Subatomic Physics, Vienna (Austria); Schuldt, Thilo [Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Schwab, Keith C. [California Institute of Technology, Applied Physics, Pasadena, CA (United States)

    2016-12-15

    Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)

  2. Shot noise in linear macroscopic resistors

    OpenAIRE

    Gomila Lluch, Gabriel; Pennetta, C.; Reggiani, L.; Ferrari, G; Sampietro, M.; G. Bertuccio(Politecnico di Milano, Italy)

    2004-01-01

    We report on direct experimental evidence of shot noise in a linear macroscopic resistor. The origin of the shot noise comes from the fluctuation of the total number of charge carriers inside the resistor associated with their diffusive motion under the condition that the dielectric relaxation time becomes longer than the dynamic transit time. The present results show that neither potential barriers nor the absence of inelastic scattering are necessary to observe shot noise in electronic devi...

  3. Shot Noise in Linear Macroscopic Resistors

    Science.gov (United States)

    Gomila, G.; Pennetta, C.; Reggiani, L.; Sampietro, M.; Ferrari, G.; Bertuccio, G.

    2004-06-01

    We report on direct experimental evidence of shot noise in a linear macroscopic resistor. The origin of the shot noise comes from the fluctuation of the total number of charge carriers inside the resistor associated with their diffusive motion under the condition that the dielectric relaxation time becomes longer than the dynamic transit time. The present results show that neither potential barriers nor the absence of inelastic scattering are necessary to observe shot noise in electronic devices.

  4. Macroscopic Objects, Intrinsic Spin, and Lorentz Violation

    CERN Document Server

    Atkinson, David W; Tasson, Jay D

    2013-01-01

    The framework of the Standard-Model Extension (SME) provides a relativistic quantum field theory for the study of Lorentz violation. The classical, nonrelativistic equations of motion can be extracted as a limit that is useful in various scenarios. In this work, we consider the effects of certain SME coefficients for Lorentz violation on the motion of macroscopic objects having net intrinsic spin in the classical, nonrelativistic limit.

  5. Microscopic and macroscopic theories for the dynamics of polar liquid crystals.

    Science.gov (United States)

    Wittkowski, Raphael; Löwen, Hartmut; Brand, Helmut R

    2011-10-01

    We derive and analyze the dynamic equations for polar liquid crystals in two spatial dimensions in the framework of classical dynamical density functional theory (DDFT). Translational density variations, polarization, and quadrupolar order are used as order-parameter fields. The results are critically compared with those obtained using the macroscopic approach of time-dependent Ginzburg-Landau (GL) equations for the analogous order-parameter fields. We demonstrate that, for both the microscopic DDFT and the macroscopic GL approach, the resulting dissipative dynamics can be derived from a dissipation function. We obtain microscopic expressions for all diagonal contributions and for many of the cross-coupling terms emerging from a GL approach. Thus, we establish a bridge between molecular correlations and macroscopic modeling for the dissipative dynamics of polar liquid crystals.

  6. Active Polar Two-Fluid Macroscopic Dynamics

    Science.gov (United States)

    Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.

    2014-03-01

    We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.

  7. Kinetic model of force-free current sheets with non-uniform temperature

    Science.gov (United States)

    Kolotkov, D. Y.; Vasko, I. Y.; Nakariakov, V. M.

    2015-11-01

    The kinetic model of a one-dimensional force-free current sheet (CS) developed recently by Harrison and Neukirch [Phys. Rev. Lett. 102(13), 135003 (2009)] predicts uniform distributions of the plasma temperature and density across the CS. However, in realistic physical systems, inhomogeneities of these plasma parameters may arise quite naturally due to the boundary conditions or local plasma heating. Moreover, as the CS spatial scale becomes larger than the characteristic kinetic scales (the regime often referred to as the MHD limit), it should be possible to set arbitrary density and temperature profiles. Thus, an advanced model has to allow for inhomogeneities of the macroscopic plasma parameters across the CS, to be consistent with the MHD limit. In this paper, we generalise the kinetic model of a force-free current sheet, taking into account the inhomogeneity of the density and temperature across the CS. In the developed model, the density may either be enhanced or depleted in the CS central region. The temperature profile is prescribed by the density profile, keeping the plasma pressure uniform across the CS. All macroscopic parameters, as well as the distribution functions for the protons and electrons, are determined analytically. Applications of the developed model to current sheets observed in space plasmas are discussed.

  8. Sorption of Th(IV) onto ZnO nanoparticles and diatomite-supported ZnO nanocomposite. Kinetics, mechanism and activation parameters

    Energy Technology Data Exchange (ETDEWEB)

    Yusan, Sabriye; Aslani, Mahmut A.A.; Aytas, Sule [Ege Univ., Izmir (Turkey). Inst. of Nuclear Sciences; Bampaiti, Anastasia; Noli, Fotini [Aristotle University of Thessaloniki (Greece). Dept. of Chemistry; Erenturk, Sema [Istanbul Technical Univ., Ayazaga Campus, Maslak-Istanbul (Turkey). Energy Inst.

    2016-11-01

    In this study, for the first time ZnO nanoparticles and diatomite-supported ZnO nanocomposite have been utilized as adsorbent for the removal of Th(IV) ions from aqueous solutions under different experimental conditions. The Langmuir, Freundlich, Temkin and Dubinin- Radushkevich (D-R) isotherms were used to analyze the equilibrium data. The sorption equilibrium data were fitted well to the Langmuir isotherm with maximum sorption capacities values was found to be 1.105 mmol/g and 0.320 mmol/g for ZnO nanoparticles and diatomite supported ZnO nanocomposite, respectively. Pseudo-first and pseudo-second order equations, Intraparticle diffusion and Bangham's models were considered to evaluate the rate parameters and sorption mechanism. Sorption kinetics were better reproduced by the pseudo-second order model (R{sup 2} > 0.999), with an activation energy (E{sub a}) of +99.74 kJ/mol and +62.95 kJ/mol for ZnO nanoparticles and diatomite-supported ZnO nanocomposite, respectively. In order to specify the type of sorption reaction, thermodynamic parameters were also determined. The evaluated ΔG* and ΔH* indicate the non-spontaneous and endothermic nature of the reactions. The results of this work suggest that both of the used materials are fast and effective adsorbents for removing Th(IV) from aqueous solutions and chemical sorption plays a role in controlling the sorption rate.

  9. Perfusion and kinetic variations of left ventricle after primary PCI for acute myocardial infarction: correlation between clinico-angiographic and scintigraphic parameters

    Directory of Open Access Journals (Sweden)

    E Varani

    2007-11-01

    Full Text Available 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 scintigraphicparameters for ischemic extent in acute phase, effective reperfusion,perfusional and kinetic outcome were collected.Results: There was a significant linear correlation among indices ofinitial ischemic extension and early perfusion defect and infarct size, whiletime to treatment (symptom onset to balloon correlated with reperfusion indices(ST resolution, corrected TIMI frame count cTFC, myocardial perfusion grade MPGand with late functional outcomes (smaller infarct size and better LVEF. A timeto treatment of <240 minutes was the most accurate predictor of effectivereperfusion and functional outcome. A late LVEF ≥50% was correlated with sum ofST elevation, ST resolution, time to treatment, CK-MB peak value, early LVEF,and early and late infarct size. An improvement in LVEF in 1 month was seen in60% of patients, who showed a shorter time to treatment and a lower cTFC.Conclusions: Improvements of perfusion and left ventricular function werefrequent one month after primary PCI in AMI. A total ischemic time ≤240 minutesand secondary ST resolution and angiographic parameters of effective reperfusionwere the best indicators of infarct size, late LVEF and improvement of LVEF.

  10. TG-FTIR pyrolysis of coal and secondary biomass fuels: Determination of pyrolysis kinetic parameters for main species and NOx precursors

    Energy Technology Data Exchange (ETDEWEB)

    W. de Jong; G. Di Nola; B.C.H. Venneker; H. Spliethoff; M.A. Wojtowicz [Delft University of Technology, Delft (Netherlands). Process and Energy Department, Energy Technology Section

    2007-10-15

    Co-firing of secondary biomass fuels with coal in coal-fired pulverized fuel boilers is facing increased application in large-scale power production. Fundamental knowledge on the thermochemical behavior of biomass and waste fuels is still lacking, especially regarding the release of the fuel bound nitrogen. Characterization of chicken litter (CL), biomass mix (BM) and meat and bone meal (MBM) and an HV coal blend was performed using TG-FTIR analysis. Three heating rate profiles were applied (10, 30 and 100{sup o}C/min), with a final temperature of 900 {sup o}C. NH{sub 3} was found to be the major gaseous N-product, while HCN and HNCO were also released in substantial amounts. Kinetic parameters for the pyrolysis of biomass fuels were obtained using a model based on parallel first-order reactions with a Gaussian distribution of activation energies. Input files for the coal FG-DVC (functional group-devolatilization, vaporization, cross-linking) and FG-BioMass pyrolysis models were prepared. The fit of model parameters to TG-FTIR product-evolution data was found to be generally good, but the model-predicted yields for some species did not fit experimental data at all heating rates equally well. This problem can be overcome by improvements in the FG-BioMass model. The results of this study can be used to have an improved input of initial pyrolysis in CFD modeling of co-fired boilers. 45 refs., 5 figs., 8 tabs.

  11. Activity, stability and kinetic parameters for -chymotrypsin catalysed reactions in AOT/isooctane reverse micelles with nonionic and zwitterionic mixed surfactants

    Indian Academy of Sciences (India)

    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.

  12. A critical study of the Miura-Maki integral method for the estimation of the kinetic parameters of the distributed activation energy model.

    Science.gov (United States)

    Cai, Junmeng; Li, Tao; Liu, Ronghou

    2011-02-01

    Using some theoretically simulated data constructed from known sets of the activation energy distribution f(E) (assumed to follow the Gaussian distribution [Formula in text] where E is the activation energy, E(0) is the mean value of the activation energy distribution, and σ is the standard deviation of the activation energy distribution) and the frequency factor k(0), a critical study of the use of the Miura-Maki integral method for the estimation of the kinetic parameters of the distributed activation energy model has been performed from three cases. For all cases, the use of the Miura-Maki integral method leads to important errors in the estimation of k(0). There are some differences between the assumed and calculated activation energy distributions and the differences decrease with increasing the assumed k(0) values (for Case 1), with increasing the assumed σ values (for Case 2), and with decreasing the b values (for Case 3). Crown Copyright © 2010. Published by Elsevier Ltd. All rights reserved.

  13. Adsorption of iron(III), cobalt(II), and nickel(II) on activated carbon derived from Xanthoceras Sorbifolia Bunge hull: mechanisms, kinetics and influencing parameters.

    Science.gov (United States)

    Zhang, Xiaotao; Hao, Yinan; Wang, Ximing; Chen, Zhangjing

    2017-04-01

    Xanthoceras Sorbifolia Bunge hull activated carbon (XSA) was prepared and characterized by Brunauer-Emmett-Teller analysis, scanning electron microscopy and energy dispersive X-ray (EDX) spectroscopy. The ability of XSA as an adsorbent was investigated for the removal of the iron group ions Fe(III), Co(II), and Ni(II) from aqueous solution. Optimum adsorption parameters were determined based on the initial concentrations of the iron group ions, pH, adsorption temperature, and adsorption time in adsorption studies. The maximum monolayer adsorption capacities were 241.13 mg/g for Fe(III), 126.05 mg/g for Co(II), and 187.96 mg/g for Ni(II), respectively. Adsorption kinetics and isotherms showed that the adsorption process best fitted the nonlinear pseudo-second-order and Langmuir models, and the affinity of the ions for XSA decreased as follows: Fe(III) > Ni(II) > Co(II). Regeneration studies indicated that XSA could be used after several consecutive adsorption/desorption cycles using HNO3. Fourier transform infrared and EDX spectra revealed the chemical adsorption value of XSA as an adsorbent for removing iron group ions from aqueous solutions.

  14. Varietal differences in photosynthetic characters and chlorophyll fluorescence induction kinetics parameters among intergeneric progeny derived from Oryza×Sorghum, its parents, and hybrid rice

    Institute of Scientific and Technical Information of China (English)

    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.

  15. Determination of the kinetic parameters during continuous cultivation of the lipase-producing thermophile Bacillus sp. IHI-91 on olive oil.

    Science.gov (United States)

    Becker, P; Abu-Reesh, I; Markossian, S; Antranikian, G; Märkl, H

    1997-08-01

    A thermostable lipase was produced in continuous cultivation of a newly isolated thermophilic Bacillus sp. strain IHI-91 growing optimally at 65 degrees C. Lipase activity decreased with increasing dilution rate while lipase productivity showed a maximum of 340 U l-1 h-1 at a condition rate of 0.4 h-1. Lipase productivity was increased by 50% compared to data from batch fermentations. Up to 70% of the total lipase activity measured was associated to cells and by-products or residual substrate. Kinetic and stoichiometric parameters for the utilisation of olive oil were determined. The maximal biomass output method led to a saturation constant Ks of 0.88 g/l. Both batch growth data and a washout experiment yielded a maximal specific growth rate, mu max, of 1.0 h-1. Oxygen uptake rates of up to 2.9 g l-1 h-1 were calculated and the yield coefficient, Y X/O, was determined to be 0.29 g dry cell weight/g O2. From an overall material balance the yield coefficient, Y X/S, was estimated to be 0.60 g dry cell weight/g olive oil.

  16. VC对土壤亚硝酸还原酶动力学参数的影响%Effect of VC on Soil Nitrite Reductase Kinetic Parameters

    Institute of Scientific and Technical Information of China (English)

    许明惠; 李昌满

    2012-01-01

    采用rpиcc试剂比色法,研究了VC对灰棕紫泥土亚硝酸还原酶动力学参数的影响.结果表明,VC的加入降低了V0、Km和Vmax值,表明VC对土壤亚硝酸还原酶的作用类型表现为反竞争性抑制作用,但低浓度VC会减弱亚硝酸还原酶与底物亲和力,而加快产物与酶的分离.由于VC具有抗氧化作用,对土壤具有良好作用,作为安全、有效的反硝化抑制剂使用.%The article researched the effect of Vc treatment on the nitrite reductase kinetic parameter of gray-brown purple clay soil by rpHCC reagent colorimetric method. The result showed that Vc treatment reduced the values of V0, Km and Vmax, the effect type of Vc on soil nitrite reductase was uncompetitive inhibition. Low concentration Vc reduced the affinity of nitrite reductase with substrate, and accelerated the separation of products and enzyme. Vc has antioxidant effect, and is good for to soil, it could be the safe and functional nitrification inhibitors.

  17. Kinetic Parameters and Cytotoxic Activity of Recombinant Methionine γ-Lyase from Clostridium tetani, Clostridium sporogenes, Porphyromonas gingivalis and Citrobacter freundii.

    Science.gov (United States)

    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.

  18. Magnetic isotope effect on kinetic parameters and quantum beats of radical pairs in micellar solution studied by optically detected esr using pulsed microwave.

    Science.gov (United States)

    Kitahama, Yasutaka; Sakaguchi, Yoshio

    2008-01-17

    We investigated the quantum beats, the oscillation between singlet and triplet states of radical pairs induced by the microwave field resonant to one of the component radicals. They were observed as the alternation of the yields of the component radicals by a nanosecond time-resolved optical absorption with the X-band (9.15 GHz) resonant microwave pulse. This technique was applied to the photochemical reaction of benzophenone, benzophenone-d(10), and benzophenone-carbonyl-(13)C in a sodium dodecylsulfate micellar solution with a step-by-step increase of the resonant microwave pulse width. The yields of the component radicals showed alternation with an increase of the microwave pulse width. This indicates that the radical pair retains spin coherence in the micellar solution. The magnetic isotope effect on the amplitude of the quantum beat was observed. The MW effect on the quantum beat of BP-(13)C decreases from 80% to 60% of that of BP by irradiation of the pi-pulse MW due to spin-locking. The kinetic parameters were also determined using the X- or Ku-band (17.44 GHz) region. They are almost similar to each other except for the intersystem recombination rate in the system of BP-(13)C, which may be slightly higher than those in other systems.

  19. Macroscopic model and truncation error of discrete Boltzmann method

    Science.gov (United States)

    Hwang, Yao-Hsin

    2016-10-01

    A derivation procedure to secure the macroscopically equivalent equation and its truncation error for discrete Boltzmann method is proffered in this paper. Essential presumptions of two time scales and a small parameter in the Chapman-Enskog expansion are disposed of in the present formulation. Equilibrium particle distribution function instead of its original non-equilibrium form is chosen as key variable in the derivation route. Taylor series expansion encompassing fundamental algebraic manipulations is adequate to realize the macroscopically differential counterpart. A self-contained and comprehensive practice for the linear one-dimensional convection-diffusion equation is illustrated in details. Numerical validations on the incurred truncation error in one- and two-dimensional cases with various distribution functions are conducted to verify present formulation. As shown in the computational results, excellent agreement between numerical result and theoretical prediction are found in the test problems. Straightforward extensions to more complicated systems including convection-diffusion-reaction, multi-relaxation times in collision operator as well as multi-dimensional Navier-Stokes equations are also exposed in the Appendix to point out its expediency in solving complicated flow problems.

  20. Kinetic transport in crystals

    CERN Document Server

    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...

  1. Rainbow correlation imaging with macroscopic twin beam

    Science.gov (United States)

    Allevi, Alessia; Bondani, Maria

    2017-06-01

    We present the implementation of a correlation-imaging protocol that exploits both the spatial and spectral correlations of macroscopic twin-beam states generated by parametric downconversion. In particular, the spectral resolution of an imaging spectrometer coupled to an EMCCD camera is used in a proof-of-principle experiment to encrypt and decrypt a simple code to be transmitted between two parties. In order to optimize the trade-off between visibility and resolution, we provide the characterization of the correlation images as a function of the spatio-spectral properties of twin beams generated at different pump power values.

  2. Fingerprint Feature Extraction Based on Macroscopic Curvature

    Institute of Scientific and Technical Information of China (English)

    Zhang Xiong; He Gui-ming; Zhang Yun

    2003-01-01

    In the Automatic Fingerprint Identification System (AFIS), extracting the feature of fingerprint is very important. The local curvature of ridges of fingerprint is irregular, so people have the barrier to effectively extract the fingerprint curve features to describe fingerprint. This article proposes a novel algorithm; it embraces information of few nearby fingerprint ridges to extract a new characteristic which can describe the curvature feature of fingerprint. Experimental results show the algorithm is feasible, and the characteristics extracted by it can clearly show the inner macroscopic curve properties of fingerprint. The result also shows that this kind of characteristic is robust to noise and pollution.

  3. Fingerprint Feature Extraction Based on Macroscopic Curvature

    Institute of Scientific and Technical Information of China (English)

    Zhang; Xiong; He; Gui-Ming; 等

    2003-01-01

    In the Automatic Fingerprint Identification System(AFIS), extracting the feature of fingerprint is very important. The local curvature of ridges of fingerprint is irregular, so people have the barrier to effectively extract the fingerprint curve features to describe fingerprint. This article proposes a novel algorithm; it embraces information of few nearby fingerprint ridges to extract a new characterstic which can describe the curvature feature of fingerprint. Experimental results show the algorithm is feasible, and the characteristics extracted by it can clearly show the inner macroscopic curve properties of fingerprint. The result also shows that this kind of characteristic is robust to noise and pollution.

  4. Macroscopic Quantum Criticality in a Circuit QED

    CERN Document Server

    Wang, Y D; Nori, F; Quan, H T; Sun, C P; Liu, Yu-xi; Nori, Franco

    2006-01-01

    Cavity quantum electrodynamic (QED) is studied for two strongly-coupled charge qubits interacting with a single-mode quantized field, which is provided by a on-chip transmission line resonator. We analyze the dressed state structure of this superconducting circuit QED system and the selection rules of electromagnetic-induced transitions between any two of these dressed states. Its macroscopic quantum criticality, in the form of ground state level crossing, is also analyzed, resulting from competition between the Ising-type inter-qubit coupling and the controllable on-site potentials.

  5. Macroscopic fluctuations theory of aerogel dynamics

    CERN Document Server

    Lefevere, Raphael; Zambotti, Lorenzo

    2010-01-01

    We consider extensive deterministic dynamics made of $N$ particles modeling aerogels under a macroscopic fluctuation theory description. By using a stochastic model describing those dynamics after a diffusive rescaling, we show that the functional giving the exponential decay in $N$ of the probability of observing a given energy and current profile is not strictly convex as a function of the current. This behaviour is caused by the fact that the energy current is carried by particles which may have arbitrary low speed with sufficiently large probability.

  6. Spontaneous Fission and alpha -Decay Half-Lives of Superheavy Nuclei in Different Macroscopic Energy Models

    CERN Document Server

    Lojewski, Z; Pomorski, K

    2003-01-01

    Spontaneous fission half-lives (T sub s sub f) of the heaviest nuclei are calculated in the macroscopic-microscopic approach based on the deformed Woods-Saxon potential. Four different models of the macroscopic energy are examined and their influence on the results is discussed. The calculations of (T sub s sub f) are performed within WKB approximation. Multi-dimensional dynamical-programming method (MDP) is applied to minimize the action integral in a 3-dimensional space of deformation parameters describing the nuclear shape (beta sub 2 ,beta sub 4 ,beta sub 6).

  7. Spin models as microfoundation of macroscopic market models

    Science.gov (United States)

    Krause, Sebastian M.; Bornholdt, Stefan

    2013-09-01

    Macroscopic price evolution models are commonly used for investment strategies. There are first promising achievements in defining microscopic agent based models for the same purpose. Microscopic models allow a deeper understanding of mechanisms in the market than the purely phenomenological macroscopic models, and thus bear the chance for better models for market regulation. However microscopic models and macroscopic models are commonly studied separately. Here, we exemplify a unified view of a microscopic and a macroscopic market model in a case study, deducing a macroscopic Langevin equation from a microscopic spin market model closely related to the Ising model. The interplay of the microscopic and the macroscopic view allows for a better understanding and adjustment of the microscopic model, as well, and may guide the construction of agent based market models as basis of macroscopic models.

  8. Macroscopic self-reorientation of interacting two-dimensional crystals.

    Science.gov (United States)

    Woods, C R; Withers, F; Zhu, M J; Cao, Y; Yu, G; Kozikov, A; Ben Shalom, M; Morozov, S V; van Wijk, M M; Fasolino, A; Katsnelson, M I; Watanabe, K; Taniguchi, T; Geim, A K; Mishchenko, A; Novoselov, K S

    2016-03-10

    Microelectromechanical systems, which can be moved or rotated with nanometre precision, already find applications in such fields as radio-frequency electronics, micro-attenuators, sensors and many others. Especially interesting are those which allow fine control over the motion on the atomic scale because of self-alignment mechanisms and forces acting on the atomic level. Such machines can produce well-controlled movements as a reaction to small changes of the external parameters. Here we demonstrate that, for the system of graphene on hexagonal boron nitride, the interplay between the van der Waals and elastic energies results in graphene mechanically self-rotating towards the hexagonal boron nitride crystallographic directions. Such rotation is macroscopic (for graphene flakes of tens of micrometres the tangential movement can be on hundreds of nanometres) and can be used for reproducible manufacturing of aligned van der Waals heterostructures.

  9. Microscopic and Macroscopic Simulation of Competition between Languages

    CERN Document Server

    Stauffer, D; Stauffer, Dietrich; Schulze, Christian

    2005-01-01

    The similarity of the evolution of human languages (or alphabets, bird songs, >...) to biological evolution of species is utilized to study with up to $10^9$ people the rise and fall of languages either by macroscopic differential equations similar to biological Lotka-Volterra equation, or by microscopic Monte Carlo simulations of bit-strings incorporating the birth, maturity, and death of every individual. For our bit-string model, depending on parameters either one language comprises the majority of speakers (dominance), or the population splits into many languages having in order of magnitude the same number of speakers (fragmentation); in the latter case the size distribution is log-normal, with upward deviations for small sizes, just as in reality for human languages. On a lattice two different dominating languages can coexist in neighbouring regions, without being favoured or disfavoured by different status. We deal with modifications and competition for existing languages, not with the evolution or lea...

  10. Correlations between Nanoindentation Hardness and Macroscopic Mechanical Properties in DP980 Steels

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Mark D.; Choi, Kyoo Sil; Sun, Xin; Matlock, David K.; Packard, Corrine; Xu, Le; Barlat, Frederic

    2014-03-01

    Multiphase advanced high strength steels (AHSS) are being increasingly used in the automotive industry due to their low cost, good availability and excellent combination of strength and ductility. There is a keen interest from the automotive and steel industry for more fundamental understandings on the key microstructure features influencing the macroscopic properties, i.e., tensile properties, hole-expansion ratio and localized formability of AHSS. In this study, the micro- and macro-level properties for eight commercial DP980 steels are first characterized and quantified with various experimental methods. Correlations between macroscopic-level properties and relationships between various micro- and macro- properties for these steels are then established based on the experimental measurements. It is found that, despite their differences in their chemistry, processing parameters and sheet thickness, the eight DP980 steels do have common microstructural level properties governing their specific macroscopic properties in terms of strength, elongation and hole expansion performance.

  11. MACROSCOPIC STRAIN POTENTIALS IN NONLINEAR POROUS MATERIALS

    Institute of Scientific and Technical Information of China (English)

    刘熠; 黄筑平

    2003-01-01

    By taking a hollow sphere as a representative volume element (RVE), the macroscopic strain potentials of porous materials with power-law incompressible matrix are studied in this paper.According to the principles of the minimum potential energy in nonlinear elasticity and the variational procedure, static admissible stress fields and kinematic admissible displacement fields are constructed,and hence the upper and the lower bounds of the macroscopic strain potential are obtained. The bounds given in the present paper differ so slightly that they both provide perfect approximations of the exact strain potential of the studied porous materials. It is also found that the upper bound proposed by previous authors is much higher than the present one, and the lower bounds given by Cocks is much lower. Moreover, the present calculation is also compared with the variational lower bound of Ponte Castafneda for statistically isotropic porous materials. Finally, the validity of the hollow spherical RVE for the studied nonlinear porous material is discussed by the difference between the present numerical results and the Cocks bound.

  12. Macroscopic theory for capillary-pressure hysteresis.

    Science.gov (United States)

    Athukorallage, Bhagya; Aulisa, Eugenio; Iyer, Ram; Zhang, Larry

    2015-03-03

    In this article, we present a theory of macroscopic contact angle hysteresis by considering the minimization of the Helmholtz free energy of a solid-liquid-gas system over a convex set, subject to a constant volume constraint. The liquid and solid surfaces in contact are assumed to adhere weakly to each other, causing the interfacial energy to be set-valued. A simple calculus of variations argument for the minimization of the Helmholtz energy leads to the Young-Laplace equation for the drop surface in contact with the gas and a variational inequality that yields contact angle hysteresis for advancing/receding flow. We also show that the Young-Laplace equation with a Dirichlet boundary condition together with the variational inequality yields a basic hysteresis operator that describes the relationship between capillary pressure and volume. We validate the theory using results from the experiment for a sessile macroscopic drop. Although the capillary effect is a complex phenomenon even for a droplet as various points along the contact line might be pinned, the capillary pressure and volume of the drop are scalar variables that encapsulate the global quasistatic energy information for the entire droplet. Studying the capillary pressure versus volume relationship greatly simplifies the understanding and modeling of the phenomenon just as scalar magnetic hysteresis graphs greatly aided the modeling of devices with magnetic materials.

  13. Quantum correlations of lights in macroscopic environments

    Science.gov (United States)

    Sua, Yong Meng

    This dissertation presents a detailed study in exploring quantum correlations of lights in macroscopic environments. We have explored quantum correlations of single photons, weak coherent states, and polarization-correlated/polarization-entangled photons in macroscopic environments. These included macroscopic mirrors, macroscopic photon number, spatially separated observers, noisy photons source and propagation medium with loss or disturbances. We proposed a measurement scheme for observing quantum correlations and entanglement in the spatial properties of two macroscopic mirrors using single photons spatial compass state. We explored the phase space distribution features of spatial compass states, such as chessboard pattern by using the Wigner function. The displacement and tilt correlations of the two mirrors were manifested through the propensities of the compass states. This technique can be used to extract Einstein-Podolsky-Rosen correlations (EPR) of the two mirrors. We then formulated the discrete-like property of the propensity P b(m,n), which can be used to explore environmental perturbed quantum jumps of the EPR correlations in phase space. With single photons spatial compass state, the variances in position and momentum are much smaller than standard quantum limit when using a Gaussian TEM 00 beam. We observed intrinsic quantum correlations of weak coherent states between two parties through balanced homodyne detection. Our scheme can be used as a supplement to decoy-state BB84 protocol and differential phase-shift QKD protocol. We prepared four types of bipartite correlations +/- cos2(theta1 +/- theta 2) that shared between two parties. We also demonstrated bits correlations between two parties separated by 10 km optical fiber. The bits information will be protected by the large quantum phase fluctuation of weak coherent states, adding another physical layer of security to these protocols for quantum key distribution. Using 10 m of highly nonlinear

  14. Kinetic parameters of the GUINEVERE reference configuration in VENUS-F reactor obtained from a pile noise experiment using Rossi and Feynman methods

    Energy Technology Data Exchange (ETDEWEB)

    Geslot, Benoit; Pepino, Alexandra; Blaise, Patrick; Mellier, Frederic [CEA, DEN, DER/SPEx, Cadarache, F-13108 St Paul Lez Durance (France); Lecouey, Jean-Luc [LPC Caen, ENSICAEN, Universite de Caen, CNRS/IN2P3, 6 Bd. Marechal Juin 14050 Caen cedex (France); Carta, Mario [ENEA, UTFISST-REANUC, C.R. Casaccia, S.P.040 via Anguillarese 301, 00123 S. Maria Di Galeria, Roma (Italy); Kochetkov, Anatoly; Vittiglio, Guido [SCK.CEN, Belgian Nuclear Research Centre, Boeretang 200, BE-2400, Mol (Belgium); Billebaud, Annick [LPSC, CNRS, IN2P3/UJF/INPG, 53 Avenue des Martyrs, 38026 Grenoble cedex (France)

    2015-07-01

    A pile noise measurement campaign has been conducted by the CEA in the VENUS-F reactor (SCK-CEN, Mol Belgium) in April 2011 in the reference critical configuration of the GUINEVERE experimental program. The experimental setup made it possible to estimate the core kinetic parameters: the prompt neutron decay constant, the delayed neutron fraction and the generation time. A precise assessment of these constants is of prime importance. In particular, the effective delayed neutron fraction is used to normalize and compare calculated reactivities of different subcritical configurations, obtained by modifying either the core layout or the control rods position, with experimental ones deduced from the analysis of measurements. This paper presents results obtained with a CEA-developed time stamping acquisition system. Data were analyzed using Rossi-α and Feynman-α methods. Results were normalized to reactor power using a calibrated fission chamber with a deposit of Np-237. Calculated factors were necessary to the analysis: the Diven factor was computed by the ENEA (Italy) and the power calibration factor by the CNRS/IN2P3/LPC Caen. Results deduced with both methods are consistent with respect to calculated quantities. Recommended values are given by the Rossi-α estimator, that was found to be the most robust. The neutron generation time was found equal to 0.438 ± 0.009 μs and the effective delayed neutron fraction is 765 ± 8 pcm. Discrepancies with the calculated value (722 pcm, calculation from ENEA) are satisfactory: -5.6% for the Rossi-α estimate and -2.7% for the Feynman-α estimate. (authors)

  15. A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

    Energy Technology Data Exchange (ETDEWEB)

    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.

  16. Parameter Estimation

    DEFF Research Database (Denmark)

    2011-01-01

    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......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 algebraic equations as the basis for parameter estimation.These approaches are illustrated using estimations of kinetic constants from reaction system models....

  17. Macroscopic and microscopic analysis of mass transfer in reversed phase liquid chromatography.

    Science.gov (United States)

    Bacskay, Ivett; Felinger, Attila

    2009-02-20

    For the correct description of a chromatographic process, the determination of mass-transfer kinetics in the column is required because the influence of the mass-transfer kinetics on the shape of chromatographic band profiles is crucial. Several sources of mass transfer in a chromatographic bed have been identified and studied: the axial dispersion in the stream of mobile phase, the external mass-transfer resistance, intraparticle diffusion, and the kinetics of adsorption-desorption In this study we compare mass-transfer coefficients obtained in a reversed phase chromatographic column using macroscopic and microscopic approaches. The general rate model, the plate height equation, moment analysis, and stochastic analysis were used to assess chromatographic process during the separation of alkylbenzenes.

  18. Macroscopic Dynamical Description of Rotating au + au System

    Science.gov (United States)

    Cârjan, N.; Siwek-Wilczyńska, K.; Skwira-Chalot, I.; Wilczyński, J.

    Events with more than two heavy fragments have been abundantly observed in heavy-ion semi-peripheral (fission-like) reaction 197Au+197Au at 15 MeV/nucleon. This raised interesting questions about their origin and about the time-scale at which they occur. As a possible explanation of this process, the surface instability of the cylindrical neck that is formed along the path from contact to reseparation of the rotating Au+Au system is investigated in the present paper. For this purpose the Los Alamos finite-range macroscopic dynamical model was used. The calculations were performed at relatively high angular momenta, L = 100 to 300 ħ, for two types of dissipation mechanisms: two-body viscosity and one-body dissipation. Various initial nuclear deformations and initial kinetic energies in the fission direction were considered. The resulting dynamical evolution in the multidimensional deformation space always led to multifragment scission configurations suggesting that ternary and quaternary break-up can occur during the heavy-ion reaction studied.

  19. Semiconductor spintronics in a participating phonon medium: Macroscopic equations

    Directory of Open Access Journals (Sweden)

    A. Rossani

    2013-09-01

    Full Text Available In the last two decades considerable interest has arisen on the spin related phenomena in semiconductor devices. In semiconductor materials two essential mechanisms act on the spin dynamics: the spin-orbit coupling and the spin-flip interactions. Here the novelty is that we adopt the asymptotic approach developed in previous papers of mine [A. Rossani, Physica A 305, 323 (2002; A. Rossani, G. Spiga, and A. Domaingo, J. Phys. A 36, 11955 (2003; A. Rossani and G. Spiga, J. Math. Phys. 47, 013301 (2006; A. Rossani and A. M. Scarfone, Physica B 334, 292 (2003; A. Rossani, J. Phys. A 43, 165002 (2010]. The aim of this paper is to derive macroscopic equations starting from a kinetic approach. Moreover an equation for the evolution of the spin density is added, which account for a general dispersion relation. The treatment of spin-flip processes, derived from first principles, is new and leads to an explicit expression of the relaxation time as a function of the temperature.

  20. Cole-Cole broadening in dielectric relaxation and strange kinetics.

    Science.gov (United States)

    Puzenko, Alexander; Ishai, Paul Ben; Feldman, Yuri

    2010-07-16

    We present a fresh appraisal of the Cole-Cole (CC) description of dielectric relaxation. While the approach is phenomenological, it demonstrates a fundamental connection between the parameters of the CC dispersion. Based on the fractal nature of the time set representing the interaction of the relaxing dipole with its encompassing matrix, and the Kirkwood-Froehlich correlation factor, a new 3D phase space linking together the kinetic and structural properties is proposed. The evolution of the relaxation process is represented in this phase space by a trajectory, which is determined by the variation of external macroscopic parameters. As an example, the validity of the approach is demonstrated on two porous silica glasses exhibiting a CC relaxation process.

  1. Macroscopic Quantum Coherence in Antiferromagnetic Molecular Magnets

    Institute of Scientific and Technical Information of China (English)

    HU Hui; LO Rong; ZHU Jia-Lin; XIONG Jia-Jiong

    2001-01-01

    The macroscopic quantum coherence in a biaxial antiferromagnetic molecular magnet in the presence of magnetic field acting parallel to its hard anisotropy axis is studied within the two-sublattice model. On the basis of instanton technique in the spin-coherent-state path-integral representation, both the rigorous Wentzel-Kramers-Brillouin exponent and pre-exponential factor for the ground-state tunnel splitting are obtained. We find that the quantum fluctuations around the classical paths can not only induce a new quantum phase previously reported by Chiolero and Loss (Phys. Rev. Lett. 80 (1998) 169), but also have great influence on the intensity of the ground-state tunnel splitting. Those features clearly have no analogue in the ferromagnetic molecular magnets. We suggest that they may be the universal behaviors in all antiferromagnetic molecular magnets. The analytical results are complemented by exact diagonalization calculation.

  2. Microscopic versus macroscopic calculation of dielectric nanospheres

    Science.gov (United States)

    Kühn, M.; Kliem, H.

    2008-12-01

    The issue of nanodielectrics has recently become an important field of interest. The term describes nanometric dielectrics, i. e. dielectric materials with structural dimensions typically smaller than 100 run. In contrast to the behaviour of a bulk material the nanodielectrics can behave completely different. With shrinking dimensions the surface or rather boundary effects outweigh the volume effects. This leads to a different observable physics at the nanoscale. A crucial point is the question whether a continuum model for the calculation of dielectric properties is still applicable for these nanomaterials. In order to answer this question we simulated dielectric nanospheres with a microscopic local field method and compared the results to the macroscopic mean field theory.

  3. Partitioning a macroscopic system into independent subsystems

    Science.gov (United States)

    Delle Site, Luigi; Ciccotti, Giovanni; Hartmann, Carsten

    2017-08-01

    We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several fields of theoretical and applied physics. The thermodynamic approach currently favoured by practitioners is based on a phenomenological definition of an interface energy associated with the partition, due to a lack of easily computable expressions for a microscopic (i.e. particle-based) interface energy. In this article, we outline a general approach to derive sharp and computable bounds for the interface free energy in terms of microscopic statistical quantities. We discuss potential applications in nanothermodynamics and outline possible future directions.

  4. Casimir effect from macroscopic quantum electrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Philbin, T G, E-mail: tgp3@st-andrews.ac.uk [School of Physics and Astronomy, University of St Andrews, North Haugh, St Andrews, Fife KY16 9SS (United Kingdom)

    2011-06-15

    The canonical quantization of macroscopic electromagnetism was recently presented in (Philbin 2010 New J. Phys. 12 123008). This theory is used here to derive the Casimir effect, by considering the special case of thermal and zero-point fields. The stress-energy-momentum tensor of the canonical theory follows from Noether's theorem, and its electromagnetic part in thermal equilibrium gives the Casimir energy density and stress tensor. The results hold for arbitrary inhomogeneous magnetodielectrics and are obtained from a rigorous quantization of electromagnetism in dispersive, dissipative media. Continuing doubts about the status of the standard Lifshitz theory as a proper quantum treatment of Casimir forces do not apply to the derivation given here. Moreover, the correct expressions for the Casimir energy density and stress tensor inside media follow automatically from the simple restriction to thermal equilibrium, without the need for complicated thermodynamical or mechanical arguments.

  5. Taming macroscopic jamming in transportation networks

    CERN Document Server

    Ezaki, Takahiro; Nishinari, Katsuhiro

    2015-01-01

    In transportation networks, a spontaneous jamming transition is often observed, e.g in urban road networks and airport networks. Because of this instability, flow distribution is significantly imbalanced on a macroscopic level. To mitigate the congestion, we consider a simple control method, in which congested nodes are closed temporarily, and investigate how it influences the overall system. Depending on the timing of the node closure and opening, and congestion level of a network, the system displays three different phases: free-flow phase, controlled phase, and deadlock phase. We show that when the system is in the controlled phase, the average flow is significantly improved, whereas when in the deadlock phase, the flow drops to zero. We study how the control method increases the network flow and obtain their transition boundary analytically.

  6. Black Holes and Quantumness on Macroscopic Scales

    CERN Document Server

    Flassig, D; Wintergerst, N

    2012-01-01

    It has recently been suggested that black holes may be described as condensates of weakly interacting gravitons at a critical point, exhibiting strong quantum effects. In this paper, we study a model system of attractive bosons in one spatial dimension which is known to undergo a quantum phase transition. We demonstrate explicitly that indeed quantum effects are important at the critical point, even if the number of particles is macroscopic. Most prominently, we evaluate the entropy of entanglement between different momentum modes and observe it to become maximal at the critical point. Furthermore, we explicitly see that the leading entanglement is between long wavelength modes and is hence a feature independent of ultraviolet physics. If applicable to black holes, our findings substantiate the conjectured breakdown of semiclassical physics even for large black holes. This can resolve long standing mysteries, such as the information paradox and the no-hair theorem.

  7. Variability of macroscopic dimensions of Moso bamboo.

    Science.gov (United States)

    Cui, Le; Peng, Wanxi; Sun, Zhengjun; Sun, Zhengjun; Sun, Zhengjun; Lu, Huangfei; Chen, Guoning

    2015-03-01

    In order to the macroscopic geometry distributions of vascular bundles in Moso bamboo tubes. The circumference of bamboo tubes was measured, used a simple quadratic diameter formula to analyze the differences between the tubes in bamboo culm, and the arrangement of vascular bundles was investigated by cross sectional images of bamboo tubes. The results shown that the vascular bundles were differently distributed in a bamboo tube. In the outer layer, the vascular bundles had a variety of shapes, and were aligned parallel to each other. In the inner layers, the vascular bundles weren't aligned but uniform in shape. It was concluded that the vascular bundle sections arranged in parallel should be separated from the non-parallel sections for the maximum bamboo utilization.

  8. Robust macroscopic entanglement without complex encodings

    CERN Document Server

    Chaves, Rafael; Acín, Antonio

    2011-01-01

    One of the main challenges for the experimental manipulation and storage of macroscopic entanglement is its fragility under noise. We present a simple recipe for the systematic enhancement of the resistance of multipartite entanglement against any local noise with a privileged direction in the Bloch sphere. For the case of exact local dephasing along any given basis, and for all noise strengths, our prescription grants full robustness: even states whose entanglement decays exponentially with the number of parts are mapped to states whose entanglement is constant. In contrast to previous techniques resorting to complex logical-qubit encodings, such enhancement is attained simply by performing local unitary rotations before the noise acts. The scheme is therefore highly experimentally-friendly, as it brings no overhead of extra physical qubits to encode logical ones. In addition, we show that, apart from entanglement, the resilience of the states as resources for useful practical tasks such as metrology and non...

  9. Macroscopic Quantum Coherence in Antiferromagnetic Molecular Magnets

    Institute of Scientific and Technical Information of China (English)

    HUHui; LURong; 等

    2001-01-01

    The macroscopic quantum coherence in a biaxial antiferromagnetic molecular magnet in the presence of magnetic field acting parallel to its hard anisotropy axis is studied within the two-sublattice model.On the basis of instanton technique in the spin-coherent-state path-integral representation,both the rigorous Wentzel-Kramers-Brillouin exponent and pre-exponential factor for the ground-state tunnel splitting are obtained.We find that the quantum fluctuations around the classical paths can not only induce a new quantum phase previously reported by Chiolero and Loss (Phys.Rev.Lett.80(1998)169),but also have great influence on the intensity of the ground-state tunnel splitting.Those features clearly have no analogue in the ferromagnetic molecular magnets.We suggest that they may be the universal behaviors in all antiferromagnetic molecular magnets.The analytical results are complemented by exact diagonalization calculation.

  10. Determining the Macroscopic Properties of Relativistic Jets

    Science.gov (United States)

    Hardee, P. E.

    2004-08-01

    The resolved relativistic jets contain structures whose observed proper motions are typically assumed to indicate the jet flow speed. In addition to structures moving with the flow, various normal mode structures such as pinching or helical and elliptical twisting can be produced by ejection events or twisting perturbations to the jet flow. The normal mode structures associated with relativistic jets, as revealed by numerical simulation, theoretical calculation, and suggested by observation, move more slowly than the jet speed. The pattern speed is related to the jet speed by the sound speed in the jet and in the surrounding medium. In the event that normal mode structures are observed, and where proper motions of pattern and flow speed are available or can be estimated, it is possible to determine the sound speed in the jet and surrounding medium. Where spatial development of normal mode structures is observed, it is possible to make inferences as to the heating rate/macroscopic viscosity of the jet fluid. Ultimately it may prove possible to separate the microscopic energization of the synchrotron radiating particles from the macroscopic heating of the jet fluid. Here I present the relevant properties of useful normal mode structures and illustrate the use of this technique. Various aspects of the work presented here have involved collaboration with I. Agudo (Max-Planck, Bonn), M.A. Aloy (Max-Planck, Garching), J. Eilek (NM Tech), J.L. Gómez (U. Valencia), P. Hughes (U. Michigan), A. Lobanov (Max-Planck, Bonn), J.M. Martí (U. Valencia), & C. Walker (NRAO).

  11. Optical approaches to macroscopic and microscopic engineering

    CERN Document Server

    Bartolo, P J D S

    2001-01-01

    This research investigates the theoretical basis of a new photo-fabrication system. By this system, optical and thermal effects are used, together or separately, to locally induce a phase change in a liquid resin. This phase change phenomena is used to 'write' three-dimensional shapes. In addition, a thermal-kinetic model has been developed to correctly simulate the physical and chemical changes that occur in the bulk (and surroundings) of the material directly exposed to radiation and/or heat, and the rates at which these changes occur. Through this model, the law of conservation of energy describing the heat transfer phenomena is coupled with a kinetic model describing in detail the cure kinetics in both chemical and diffusion-controlled regimes. The thermal-kinetic model has been implemented using the finite element method. Linear rectangular elements have been considered and the concept of isoparametric formulation used. The Cranck-Nicolson algorithm has been used to integrate the system of equations, res...

  12. Study on Kinetic Parameters of Degradating Phenol by Photosynthetic Bacteria%光合细菌降解苯酚的动力学参数研究

    Institute of Scientific and Technical Information of China (English)

    刘宏芳

    2011-01-01

    苯酚是炼焦(油)、塑料、化工等行业生产过程中的主要污染物。随着经济的快速发展,各类含酚废水已经严重威胁着人类的生存环境。利用微生物处理含酚废水是一种经济有效且无二次污染的方法。本文主要研究了光合细菌-沼泽红假单胞菌降解含酚废水的动力学参数。实验结果表明,沼泽红假单胞菌对含酚废水具有很好的降解性能,正常状态下,该菌最大比生长速率μmax为8.00 mg/g.h,半速率常数Ks为247.92 mg/L,产率系数Y为5.88 mg/mg,内源呼吸系数Kd为0.29 d-1。%Phenol is the significant raw material or midst substance of coking plant,oil refining,plastic and medicine composing etc.More and more waste water containing phenol without treatment is threatening the environment heavily with the rapid development of economy.The method of microorganism biodegradation is economic and effective to treat with phenol waste water without second pollution.The kinetic parameters of the degradation of the phenol were studied with Rhodopseudomonas palustri.The experimental results show that Rhodopseudomonas palustris had excellent biodegradability for phenol wastewater.Under normal conditions,μmax is 8.00 mg/g·h,Ks is 247.92 mg/L,Y is 5.88 mg/mg and Kd is 0.29 d-1.

  13. Observability of relative phases of macroscopic quantum states

    CERN Document Server

    Pati, A K

    1998-01-01

    After a measurement, to observe the relative phases of macroscopically distinguishable states we have to ``undo'' a quantum measurement. We generalise an earlier model of Peres from two state to N-state quantum system undergoing measurement process and discuss the issue of observing relative phases of different branches. We derive an inequality which is satisfied by the relative phases of macroscopically distinguishable states and consequently any desired relative phases can not be observed in interference setups. The principle of macroscopic complementarity is invoked that might be at ease with the macroscopic world. We illustrate the idea of limit on phase observability in Stern-Gerlach measurements and the implications are discussed.

  14. Determination of the kinetic parameters of K{sub 2}Y F{sub 5}: Tb; Determinacion de los parametros cineticos de K{sub 2}Y F{sub 5}: Tb

    Energy Technology Data Exchange (ETDEWEB)

    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)

  15. Quantifying hydrate formation and kinetic inhibition

    Energy Technology Data Exchange (ETDEWEB)

    Sloan, E.D.; Subramanian, S.; Matthews, P.N.; Lederhos, J.P.; Khokhar, A.A. [Colorado School of Mines, Golden, CO (United States). Center for Hydrate Research

    1998-08-01

    In the Prausnitz tradition, molecular and macroscopic evidence of hydrate formation and kinetic inhibition is presented. On the microscopic level, the first Raman spectra are presented for the formation of both uninhibited and inhibited methane hydrates with time. This method has the potential to provide a microscopic-based kinetics model. Three macroscopic aspects of natural gas hydrate kinetic inhibition are also reported: (1) The effect of hydrate dissociation residual structures was measured, which has application in decreasing the time required for subsequent formation. (2) The performance of a kinetic inhibitor (poly(N-vinylcaprolactam) or PVCap) was measured and correlated as a function of PVCap molecular weight and concentrations of PVCap, methanol, and salt in the aqueous phase. (3) Long-duration test results indicated that the use of PVCap can prevent pipeline blockage for a time exceeding the aqueous phase residence time in some gas pipelines.

  16. Application of the exact distribution pj{sub k} in the determination of kinetic parameters in a reactor; Aplicacion de la distribucion exacta p{sub k} a la determinacion de parametros cineticos de un reactor

    Energy Technology Data Exchange (ETDEWEB)

    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.

  17. Kinetic and thermodynamic parameters of hydrogen release during the heterogeneous catalytic dehydrogenation of cis- and trans-isomers of perhydro-m-terphenyl

    Science.gov (United States)

    Kalenchuk, A. N.; Bogorodskii, S. E.; Bogdan, V. I.

    2016-10-01

    Comparative studies on the temperature dependence of the dehydrogenation of cis- and trans-isomers of perhydro- m-terphenyl are performed in a flow catalytic reactor. Rate constants and equilibrium constants of all elementary acts of this reaction are calculated on basis of experimental data using the KINET 0.8 program for the mathematical modeling of the kinetics of complex reactions. The resulting data indicate that perhydro- m-terphenyl cis- and trans-isomers structural differences have no appreciable effect on dehydrogenation.

  18. Spin-orbit coupling and paramagnetic relaxation in micellized triplet radical pairs. Determination of relaxation parameters from magnetic field dependences of the decay kinetics

    Science.gov (United States)

    Levin, P. P.; Kuzmin, V. A.

    1990-01-01

    The geminate recombination kinetics of the radical pairs produced by quenching of triplet benzophenone or 4-bromobenzophenone by 4-phenylphenol and 4-phenylaniline in aqueous micellar solutions of sodium dodecyl sulfate has been examined using the laser flash technique. Application of an external magnetic field results in the retardation of geminate recombination up to 20 times. The magnetic field dependences are considered in terms of a simple kinetic scheme, which includes the singlet-triplet evolution in the separated states of a pair due to hyperfine coupling and relaxation mechanisms as well as intersystem recombination process due to the spin-orbit coupling in the contact states of a pair.

  19. Effect of the Hamiltonian parameters on the hysteresis properties of the kinetic mixed spin (1/2, 1) Ising ferrimagnetic model on a hexagonal lattice

    Energy Technology Data Exchange (ETDEWEB)

    Batı, Mehmet, E-mail: mehmet.bati@erdogan.edu.tr [Department of Physics, Recep Tayyip Erdoğan University, 53100 Rize (Turkey); Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2017-05-15

    The hysteresis properties of a kinetic mixed spin (1/2, 1) Ising ferrimagnetic system on a hexagonal lattice are studied by means of the dynamic mean field theory. In the present study, the effects of the nearest-neighbor interaction, temperature, frequency of oscillating magnetic field and the exchange anisotropy on the hysteresis properties of the kinetic system are discussed in detail. A number of interesting phenomena such as the shape of hysteresis loops with one, two, three and inverted-hysteresis/proteresis (butterfly shape hysteresis) have been obtained. Finally, the obtained results are compared with some experimental and theoretical results and a qualitatively good agreement is found.

  20. A theoretical comparison of macroscopic and microscopic modeling of singlet oxygen during Photofrin and HPPH mediated-PDT

    Science.gov (United States)

    Liu, Baochang; Kim, Michele M.; Zhu, Timothy C.

    2015-01-01

    Mathematic models were developed to simulate the complex dynamic process of photodynamic therapy (PDT). Macroscopic or microscopic modeling of singlet oxygen (1O2) is particularly of interest because it is the major cytotoxic agent causing biological effects during PDT. Our previously introduced macroscopic PDT model incorporates the diffusion equation for the light propagation in tissue and the macroscopic kinetic equations for the production of the 1O2. The distance-dependent distribution of 3O2 and reacted 1O2 can be numerically calculated using finite-element method (FEM). We recently improved the model to include microscopic kinetic equations of oxygen diffusion from uniformly distributed blood vessels and within tissue. In the model, the cylindrical blood capillary has radius in the range of 2–5 μm and a mean length of 300 μm, and supplies oxygen into tissue. The blood vessel network is assumed to form a 2-D square grid perpendicular to a linear light source. The spacing of the grid is 60 μm. Oxygen can also diffuse along the radius and the longitudinal axial of the cylinder within tissue. The oxygen depletion during Photofrin-PDT can be simulated using both macroscopic and microscopic approaches. The comparison of the simulation results have reasonable agreements when velocity of blood flow is reduced during PDT. PMID:25999642

  1. Macroscopic superpositions and gravimetry with quantum magnetomechanics

    Science.gov (United States)

    Johnsson, Mattias T.; Brennen, Gavin K.; Twamley, Jason

    2016-11-01

    Precision measurements of gravity can provide tests of fundamental physics and are of broad practical interest for metrology. We propose a scheme for absolute gravimetry using a quantum magnetomechanical system consisting of a magnetically trapped superconducting resonator whose motion is controlled and measured by a nearby RF-SQUID or flux qubit. By driving the mechanical massive resonator to be in a macroscopic superposition of two different heights our we predict that our interferometry protocol could, subject to systematic errors, achieve a gravimetric sensitivity of Δg/g ~ 2.2 × 10-10 Hz-1/2, with a spatial resolution of a few nanometres. This sensitivity and spatial resolution exceeds the precision of current state of the art atom-interferometric and corner-cube gravimeters by more than an order of magnitude, and unlike classical superconducting interferometers produces an absolute rather than relative measurement of gravity. In addition, our scheme takes measurements at ~10 kHz, a region where the ambient vibrational noise spectrum is heavily suppressed compared the ~10 Hz region relevant for current cold atom gravimeters.

  2. Cloud Macroscopic Organization: Order Emerging from Randomness

    Science.gov (United States)

    Yuan, Tianle

    2011-01-01

    Clouds play a central role in many aspects of the climate system and their forms and shapes are remarkably diverse. Appropriate representation of clouds in climate models is a major challenge because cloud processes span at least eight orders of magnitude in spatial scales. Here we show that there exists order in cloud size distribution of low-level clouds, and that it follows a power-law distribution with exponent gamma close to 2. gamma is insensitive to yearly variations in environmental conditions, but has regional variations and land-ocean contrasts. More importantly, we demonstrate this self-organizing behavior of clouds emerges naturally from a complex network model with simple, physical organizing principles: random clumping and merging. We also demonstrate symmetry between clear and cloudy skies in terms of macroscopic organization because of similar fundamental underlying organizing principles. The order in the apparently complex cloud-clear field thus has its root in random local interactions. Studying cloud organization with complex network models is an attractive new approach that has wide applications in climate science. We also propose a concept of cloud statistic mechanics approach. This approach is fully complementary to deterministic models, and the two approaches provide a powerful framework to meet the challenge of representing clouds in our climate models when working in tandem.

  3. Distributivity breaking and macroscopic quantum games

    CERN Document Server

    Grib, A A; Parfionov, G N; Starkov, K A

    2005-01-01

    Examples of games between two partners with mixed strategies, calculated by the use of the probability amplitude as some vector in Hilbert space are given. The games are macroscopic, no microscopic quantum agent is supposed. The reason for the use of the quantum formalism is in breaking of the distributivity property for the lattice of yes-no questions arising due to the special rules of games. The rules of the games suppose two parts: the preparation and measurement. In the first part due to use of the quantum logical orthocomplemented non-distributive lattice the partners freely choose the wave functions as descriptions of their strategies. The second part consists of classical games described by Boolean sublattices of the initial non-Boolean lattice with same strategies which were chosen in the first part. Examples of games for spin one half are given. New Nash equilibria are found for some cases. Heisenberg uncertainty relations without the Planck constant are written for the "spin one half game".

  4. Cloud macroscopic organization: order emerging from randomness

    Directory of Open Access Journals (Sweden)

    T. Yuan

    2011-01-01

    Full Text Available Clouds play a central role in many aspects of the climate system and their forms and shapes are remarkably diverse. Appropriate representation of clouds in climate models is a major challenge because cloud processes span at least eight orders of magnitude in spatial scales. Here we show that there exists order in cloud size distribution of low-level clouds and it follows a power-law distribution with exponent γ close to 2. γ is insensitive to yearly variations in environmental conditions, but has regional variations and land-ocean contrasts. More importantly, we demonstrate this self-organizing behavior of clouds emerges naturally from a complex network model with simple, physical organizing principles: random clumping and merging. We also show clear-cloudy sky symmetry in terms of macroscopic organization because of similar fundamental underlying organizing principles. The order in the apparently complex cloud-clear field thus has its root in random simple interactions. Studying cloud organization with complex network models is an attractive new approach that has wide applications in climate science. This approach is fully complementary to deterministic models and the two approaches provide a powerful framework to meet the challenge of representing clouds in our climate models when working in tandem.

  5. An Experimental Proposal for Demonstration of Macroscopic Quantum Effects

    Directory of Open Access Journals (Sweden)

    Jensen R.

    2010-10-01

    Full Text Available An experiment is proposed, whose purpose is to determine whether quantum indeterminism can be observed on a truly macroscopic scale. The experiment involves using a double-slit plate or interferometer and a macroscopic mechanical switch. The objective is to determine whether or not the switch can take on an indeterminate state.

  6. An Experimental Proposal for Demonstration of Macroscopic Quantum Effects

    Directory of Open Access Journals (Sweden)

    Jensen R.

    2010-10-01

    Full Text Available An experiment is proposed, whose purpose is to determine whether quantum indeter- minism can be observed on a truly macroscopic scale. The experiment involves using a double-slit plate or interferometer and a macroscopic mechanical switch. The objective is to determine whether or not the switch can take on an indeterminate state.

  7. Solution of Macroscopic State Equations of Blume-Capel Model Using Nonlinear Dynamics Concepts

    Directory of Open Access Journals (Sweden)

    Asaf Tolga Ülgen

    2013-01-01

    Full Text Available The macroscopic state equations of Blume-Capel Model were solved by using the concepts of nonlinear dynamics. Negative and positive exchange constant values yield bifurcations of pitchfork and subcritical flip types, respectively. Hence, we obtained bifurcations corresponding to second order phase transitions. The critical values of parameters were calculated from the neutral stability condition and the 3-dimensional phase diagram was plotted.

  8. External and internal gelation of pectin solutions: microscopic dynamics versus macroscopic rheology

    Science.gov (United States)

    Secchi, E.; Munarin, F.; Alaimo, M. D.; Bosisio, S.; Buzzaccaro, S.; Ciccarella, G.; Vergaro, V.; Petrini, P.; Piazza, R.

    2014-11-01

    Pectin is a natural biopolymer that forms, in the presence of divalent cations, ionic-bound gels typifying a large class of biological gels stabilized by non-covalent cross-links. We investigate and compare the kinetics of formation and aging of pectin gels obtained either through external gelation via perfusion of free Ca2+ ions, or by internal gelation due to the supply of the same ions from the dissolution of CaCO3 nanoparticles. The microscopic dynamics obtained with photon correlation imaging, a novel optical technique that allows obtaining the microscopic dynamics of the sample while retaining the spatial resolution of imaging techniques, is contrasted with macroscopic rheological measurements at constant strain. Pectin gelation is found to display peculiar two-stage kinetics, highlighted by non-monotonic growth in time of both microscopic correlations and gel mechanical strength. These results are compared to those found for alginate, another biopolymer extensively used in food formulation.

  9. External and internal gelation of pectin solutions: microscopic dynamics versus macroscopic rheology.

    Science.gov (United States)

    Secchi, E; Munarin, F; Alaimo, M D; Bosisio, S; Buzzaccaro, S; Ciccarella, G; Vergaro, V; Petrini, P; Piazza, R

    2014-11-19

    Pectin is a natural biopolymer that forms, in the presence of divalent cations, ionic-bound gels typifying a large class of biological gels stabilized by non-covalent cross-links. We investigate and compare the kinetics of formation and aging of pectin gels obtained either through external gelation via perfusion of free Ca(2+) ions, or by internal gelation due to the supply of the same ions from the dissolution of CaCO3 nanoparticles. The microscopic dynamics obtained with photon correlation imaging, a novel optical technique that allows obtaining the microscopic dynamics of the sample while retaining the spatial resolution of imaging techniques, is contrasted with macroscopic rheological measurements at constant strain. Pectin gelation is found to display peculiar two-stage kinetics, highlighted by non-monotonic growth in time of both microscopic correlations and gel mechanical strength. These results are compared to those found for alginate, another biopolymer extensively used in food formulation.

  10. Decolorization Kinetics of Acid Azo Dye and Basic Thiazine Dye in Aqueous Solution by UV/H2O2 and UV/Fenton: Effects of Operational Parameters

    Directory of Open Access Journals (Sweden)

    Baffoun Ayda

    2017-03-01

    Full Text Available The photochemical decolorization of two dyes, namely Acid Yellow 54 and Basic Blue 9, was studied using the UV/H2O2 and UV/Fenton processes. The effects of the amount of H2O2 and FeSO4 as well as the initial pH solution on decolorization kinetics of both the dyes were investigated. The pseudo-first order kinetic model was applied to predict the decolorization of the selected dyes at the different operational conditions and results showed that this model fitted very well with the experimental data. The obtained results also showed the efficiency of UV/Fenton process to quickly degrade aqueous effluents polluted by Acid Yellow 54 and Basic Blue 9 compared to the UV/H2O2 process.

  11. Mathematical determination of kinetic parameters for assessing the effect of the organic solvent on the selectivity of peptide synthesis with immobilized α-chymotrypsin.

    Science.gov (United States)

    Bahamondes, Carola; Wilson, Lorena; Guzmán, Fanny; Illanes, Andrés

    2017-08-25

    The synthesis of the dipeptide N-benzoyl-l-tyrosine-l-argininamide (BTAA) was conducted under kinetic control with N-benzoyl-l-tyrosine ethyl ester as acyl donor and argininamide as nucleophile using immobilized α-chymotrypsin as catalyst. Using a mathematical procedure, the kinetic constants corresponding to the proposed mechanism of peptide synthesis were determined in three different cosolvent media, namely, ethanol, diglyme and acetonitrile. These constants were used for evaluating the selectivity of glyoxyl-agarose immobilized α-chymotrypsin in the synthesis of BTAA by determining the ratios of synthesis to hydrolysis rates. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  12. Exact relativistic kinetic theory of an electron beam-plasma system: hierarchy of the competing modes in the system parameter space

    OpenAIRE

    Bret, A.; Gremillet, L; Benisti, D.; Lefebvre, E.

    2008-01-01

    Besides being one of the most fundamental basic issues of plasma physics, the stability analysis of an electron beam-plasma system is of critical relevance in many areas of physics. Surprisingly, decades of extensive investigation had not yet resulted in a realistic unified picture of the multidimensional unstable spectrum within a fully relativistic and kinetic framework. All attempts made so far in this direction were indeed restricted to simplistic distribution functions and/or did not aim...

  13. The kinetic theory of a dilute ionized plasma

    CERN Document Server

    García-Colin, L S

    2008-01-01

    This book results from recent studies aimed at answering questions raised by astrophycists who use values of transport coefficients that are old and often unsatisfactory. The few books dealing with the rigorous kinetic theory of a ionized plasma are based on the so called Landau (Fokker-Planck) equation and they seldom relate the microscopic results with their macroscopic counterpart provided by classical non-equilibrium thermodynamics. In this book both issues are thoroughly covered. Starting from the full Boltzmann equation for inert dilute plasmas and using the Hilbert-Chapman-Enskog method to solve the first two approximations in Knudsen´s parameter, we construct all the transport properties of the system within the framework of linear irreversible thermodynamics. This includes a systematic study of all possible cross effects (which, except for a few cases, were never treated in the literature) as well as the famous H-theorem. The equations of magneto-hydrodynamics for dilute plasmas, including the rathe...

  14. Kinetics, reactivity, initial-transition state analysis and thermodynamic parameters of base-catalyzed hydrolysis of coumalic acid in solvents with different polarities

    Directory of Open Access Journals (Sweden)

    Ezz A. Abu-Gharib

    2017-02-01

    Full Text Available Base-catalyzed hydrolysis of coumalic acid (COU in binary aqueous-methanol and aqueous-acetone mixtures has been studied kinetically at a temperature range from 283 to 313 K. Moreover, the change in the activation energy barrier of COU from water to water–methanol and water–acetone mixtures is estimated from the kinetic data. Solvent effects on reactivity trends have been analyzed into initial and transition state components by using transfer chemical potentials of the reactants and kinetic data. The transfer chemical potentials δmμθ for COU− anion are derived from solubility data from its calcium, cerium and lanthanum salts. The decrease in rate constant of the base hydrolysis reaction of COU as the percentage of methanol or acetone increases is dominated by transition state (TS. The base hydrolysis reaction of COU follows a rate law with kobs = k2[OH−] and the reaction mechanism was suggested. The high negative values of entropy of activation support the proposal mechanism, i.e. the investigated reaction takes place via the formation of an intermediate complex. Thus, the ring opening of the intermediate complex would be the rate controlling step.

  15. Non-isothermal decomposition kinetics of magnesite

    OpenAIRE

    Maitra, S; 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.

  16. Properties of nuclear matter from macroscopic-microscopic mass formulas

    Science.gov (United States)

    Wang, Ning; Liu, Min; Ou, Li; Zhang, Yingxun

    2015-12-01

    Based on the standard Skyrme energy density functionals together with the extended Thomas-Fermi approach, the properties of symmetric and asymmetric nuclear matter represented in two macroscopic-microscopic mass formulas: Lublin-Strasbourg nuclear drop energy (LSD) formula and Weizsäcker-Skyrme (WS*) formula, are extracted through matching the energy per particle of finite nuclei. For LSD and WS*, the obtained incompressibility coefficients of symmetric nuclear matter are K∞ = 230 ± 11 MeV and 235 ± 11 MeV, respectively. The slope parameter of symmetry energy at saturation density is L = 41.6 ± 7.6 MeV for LSD and 51.5 ± 9.6 MeV for WS*, respectively, which is compatible with the liquid-drop analysis of Lattimer and Lim [4]. The density dependence of the mean-field isoscalar and isovector effective mass, and the neutron-proton effective masses splitting for neutron matter are simultaneously investigated. The results are generally consistent with those from the Skyrme Hartree-Fock-Bogoliubov calculations and nucleon optical potentials, and the standard deviations are large and increase rapidly with density. A better constraint for the effective mass is helpful to reduce uncertainties of the depth of the mean-field potential.

  17. LETTERS AND COMMENTS: Adiabatic process reversibility: microscopic and macroscopic views

    Science.gov (United States)

    Anacleto, Joaquim; Pereira, Mário G.

    2009-05-01

    The reversibility of adiabatic processes was recently addressed by two publications. In the first (Miranda 2008 Eur. J. Phys. 29 937-43), an equation was derived relating the initial and final volumes and temperatures for adiabatic expansions of an ideal gas, using a microscopic approach. In that relation the parameter r accounts for the process reversibility, ranging between 0 and 1, which corresponds to the free and reversible expansion, respectively. In the second (Anacleto and Pereira 2009 Eur. J. Phys. 30 177-83), the authors have shown that thermodynamics can effectively and efficiently be used to obtain the general law for adiabatic processes carried out by an ideal gas, including compressions, for which r \\ge 1. The present work integrates and extends the aforementioned studies, providing thus further insights into the analysis of the adiabatic process. It is shown that Miranda's work is wholly valid for compressions. In addition, it is demonstrated that the adiabatic reversibility coefficient given in terms of the piston velocity and the root mean square velocity of the gas particles is equivalent to the macroscopic description, given just by the quotient between surroundings and system pressure values.

  18. Properties of nuclear matter from macroscopic-microscopic mass formulas

    CERN Document Server

    Wang, Ning; Ou, Li; Zhang, Yingxun

    2015-01-01

    Based on the standard Skyrme energy density functionals together with the extended Thomas-Fermi approach, the properties of symmetric and asymmetric nuclear matter represented in two macroscopic-microscopic mass formulas: Lublin-Strasbourg nuclear drop energy (LSD) formula and Weizs\\"acker-Skyrme (WS*) formula, are extracted through matching the energy per particle of finite nuclei. For LSD and WS*, the obtained incompressibility coefficients of symmetric nuclear matter are $K_\\infty=230 \\pm 11$ MeV and $235\\pm 11$ MeV, respectively. The slope parameter of symmetry energy at saturation density is $L=41.6\\pm 7.6$ MeV for LSD and $51.5\\pm 9.6$ MeV for WS*, respectively, which is compatible with the liquid-drop analysis of Lattimer and Lim [ApJ. \\textbf{771}, 51 (2013)]. The density dependence of the mean-field isoscalar and isovector effective mass, and the neutron-proton effective masses splitting for neutron matter are simultaneously investigated. The results are generally consistent with those from the Skyrm...

  19. Experimental demonstration of macroscopic quantum coherence in Gaussian states

    DEFF Research Database (Denmark)

    Marquardt, C.; Andersen, Ulrik Lund; Leuchs, G.

    2007-01-01

    We witness experimentally the presence of macroscopic coherence in Gaussian quantum states using a recently proposed criterion [E. G. Cavalcanti and M. D. Reid, Phys. Rev. Lett. 97 170405 (2006)]. The macroscopic coherence stems from interference between macroscopically distinct states in phase...... space, and we prove experimentally that a coherent state contains these features with a distance in phase space of 0.51 +/- 0.02 shot noise units. This is surprising because coherent states are generally considered being at the border between classical and quantum states, not yet displaying any...

  20. Modelling and dynamic simulation of a pilot-scale moving bed bioreactor for the treatment of municipal wastewater: model concepts and the use of respirometry for the estimation of kinetic parameters.

    Science.gov (United States)

    Plattes, M; Fiorelli, D; Gillé, S; Girard, C; Henry, E; Minette, F; O'Nagy, O; Schosseler, P M

    2007-01-01

    A model for the simulation of a moving bed bioreactor (MBBR) used for the treatment of municipal wastewater is proposed. The model includes attachment of particulates to the biofilm and detachment of biofilm into the bulk liquid. The growth kinetics are modelled with the activated sludge model no. 1 (ASM1). Respirometry was used for the estimation of kinetic parameters. The resulting respirograms featured the typical endogenous and exogenous respiration phases and the respirogram shapes were as expected from analogous respirometry with activated sludge. The estimated parameter set was used for modelling and simulation of the pilot-scale MBBR. The main proportion of biomass in the MBBR was found to be attached as biofilm on the carrier elements (4.1 -4.6 g dm-3) and only a small amount was suspended in the bulk liquid (0.15gdm(-3)). Attachment and detachment rates were estimated to be 4.8-7.5g m(-2) d(-1) 1for attachment and 6.5-7.5g m(-2) d(-1) for detachment. The biofilm age was estimated to be 1.8-2.7d. The model was used to predict effluent quality parameters and a good fit of the simulated data to the measured data originating from a four-days-long measurement campaign was obtained.

  1. The study of lithium ion de-insertion/insertion in LiMn{sub 2}O{sub 4} and determination of kinetic parameters in aqueous Li{sub 2}SO{sub 4} solution using electrochemical impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Manjunatha, H.; Mahesh, K.C. [Chemistry Research Centre, S.S.M.R.V. Degree College, Jayanagar, Bangalore 560041 (India); Suresh, G.S., E-mail: sureshssmrv@yahoo.co.i [Chemistry Research Centre, S.S.M.R.V. Degree College, Jayanagar, Bangalore 560041 (India); Venkatesha, T.V. [Department of Chemistry, Kuvempu University, Jnanasahyadri, Shankaraghatta 577451 Shimoga (India)

    2011-01-01

    In this work, we report a basic study on the mechanism of lithium ion de-insertion/insertion process from/into LiMn{sub 2}O{sub 4} cathode material in aqueous Li{sub 2}SO{sub 4} solution using electrochemical impedance spectroscopy (EIS). An equivalent circuit distinguishing the kinetic parameters of lithium ion de-insertion/insertion is used to simulate the experimental impedance data. The fitting results are in good agreement with the experimental results and the parameters of the kinetic process of Li{sup +} de-insertion and insertion in LiMn{sub 2}O{sub 4} at different potentials during charge and discharge are obtained using the same circuit. The results indicate that the de-insertion/insertion behavior of lithium ions at LiMn{sub 2}O{sub 4} cathode in Li{sub 2}SO{sub 4} aqueous solution is similar to that reported in the organic electrolytes. The charge transfer resistance (R{sub ct}), warburg resistance, double layer capacitance and chemical diffusion coefficient (D{sub Li}{sup +}) vary with potentials during de-insertion/insertion processes. R{sub ct} is lowest at the CV peak potentials and the important kinetic parameter, D{sub Li}{sup +} exhibits two distinct minima at potentials corresponding to CV peaks during de-insertion-insertion and it was found to be between 10{sup -8} and 10{sup -10} cm{sup 2} s{sup -1}during lithium de-insertion/insertion processes.

  2. Correlation between [{sup 18}F]FLT kinetic parameters and in vitro immunohistochemical analysis results in a mouse model with human epithelial carcinoma (A431) and lewis lung carcinoma (LLC) cells

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Su Jin; Lee, Jae Sung; Im, Ki Chun; Kim, Seog Young; Park, Soo Ah; Lee, Dong Soo; Moon, Dae Hyuk [Seoul National Univ. College of Medicine, Seoul (Korea, Republic of)

    2007-07-01

    [18F]FLT is a thymidine analog for assessing the cellular proliferation. Quantitative analysis is particularly important for the in vivo characteristics of the drugs which modulate the cancer-associated alternations of cellular proliferation. We assessed the correlation between the quantitative parameters obtained by the PET kinetic analysis and Ki-67 immunohistochemical analysis results in a mouse model with different cells. The A431 derived from skin epidermoid carcinoma was injected subcutaneously into the shoulders of 9 Balb-c/nu mice at a dose of 7 x 106 cells/site. 9 C57BL/6 mice were inoculated with 1 x 106 LLC lung carcinoma cells in same region. PET scans were acquired for 2 hours after injection of 37MBq [18F]FLT when the tumors achieved diameters of 10 mm. Image-derived left ventricular time-activity curve was used as an input function for kinetic modeling. The time-activity curves of tumor and contra-lateral normal tissues were fitted to two-tissue compartment model with blood volume term. We examined the correlation between kinetic parameters and immunohistochemical results. Semi-quantitative parameters such as percentage injected dose per gram (%ID/g) and SUV was also examined. Metabolic flux of FLT (K{sub FLT}), total distribution volume (DV{sub tot}), distribution volume of FLT phosphorylated nucleotides (DV{sub m}), phosphorylation of FLT by TK1 (k{sub 3}). %ID/g and SUV were high in A431 tumor, whereas LLC tumor had low value. Discrimination of the types of tumor cell lines was possible based on these quantitative and semi-quantitative parameters. In correlation analysis, K{sub FLT} and k{sub 3} had most significant correlation with Ki-67(%). K{sub FLT} and k{sub 3} of [l8F]FLT kinetics were well correlated with in vitro measures of tumor proliferation in a mouse model with A431 and LLC cell line, and should be useful for the assessment of the cancer-associated alternations of cellular proliferation.

  3. Comparative study of diethyl phthalate degradation by UV/H2O2 and UV/TiO2: kinetics, mechanism, and effects of operational parameters.

    Science.gov (United States)

    Song, Chengjie; Wang, Liping; Ren, Jie; Lv, Bo; Sun, Zhonghao; Yan, Jing; Li, Xinying; Liu, Jingjing

    2016-02-01

    The photodegradation of diethyl phthalate (DEP) by UV/H2O2 and UV/TiO2 is studied. The DEP degradation kinetics and multiple crucial factors effecting the clearance of DEP are investigated, including initial DEP concentration ([DEP]0), initial pH values (pH0), UV light intensity, anions (Cl(-), NO(3-), SO4 (2-), HCO3 (-), and CO3 (2-)), cations (Mg(2+), Ca(2+), Mn(2+), and Fe(3+)), and humic acid (HA). Total organic carbon (TOC) removal is tested by two treatments. And, cytotoxicity evolution of DEP degradation intermediates is detected. The relationship between molar ratio ([H2O2]/[DEP] or [TiO2]/[DEP]) and degradation kinetic constant (K) is also studied. And, the cytotoxicity tests of DEP and its degradation intermediates in UV/H2O2 and UV/TiO2 treatments are researched. The DEP removal efficiency of UV/H2O2 treatment is higher than UV/TiO2 treatment. The DEP degradation fitted a pseudo-first-order kinetic pattern under experimental conditions. The K linearly related with molar ratio in UV/H2O2 treatment while nature exponential relationship is observed in the case of UV/TiO2. However, K fitted corresponding trends better in H2O2 treatment than in TiO2 treatment. The Cl(-) is in favor of the DEP degradation in UV/H2O2 treatment; in contrast, it is disadvantageous to the DEP degradation in UV/TiO2 treatment. Other anions are all disadvantageous to the DEP degradation in two treatments. Fe(3+) promotes the degradation rates significantly. And, all other cations in question inhibit the degradation of DEP. HA hinders DEP degradation in two treatments. The intermediates of DEP degradation in UV/TiO2 treatment are less toxic to biological cell than that in UV/H2O2 treatment.

  4. Estimation of Kinetic Parameters for Autocatalytic Oxidation of Cyclohexane Based on a Modified Adaptive Genetic Algorithm%基于一种改进的自适应遗传算法估算环己烷自催化氧化反应动力学参数

    Institute of Scientific and Technical Information of China (English)

    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.

  5. Terahertz Science and Technology of Macroscopically Aligned Carbon Nanotube Films

    Science.gov (United States)

    Kono, Junichiro

    One of the outstanding challenges in nanotechnology is how to assemble individual nano-objects into macroscopic architectures while preserving their extraordinary properties. For example, the one-dimensional character of electrons in individual carbon nanotubes leads to extremely anisotropic transport, optical, and magnetic phenomena, but their macroscopic manifestations have been limited. Here, we describe methods for preparing macroscopic films, sheets, and fibers of highly aligned carbon nanotubes and their applications to basic and applied terahertz studies. Sufficiently thick films act as ideal terahertz polarizers, and appropriately doped films operate as polarization-sensitive, flexible, powerless, and ultra-broadband detectors. Together with recently developed chirality enrichment methods, these developments will ultimately allow us to study dynamic conductivities of interacting one-dimensional electrons in macroscopic single crystals of single-chirality single-wall carbon nanotubes.

  6. Accumulation of small protein molecules in a macroscopic complex coacervate

    NARCIS (Netherlands)

    Lindhoud, S.; Claessens, M.M.A.E.

    2016-01-01

    To obtain insight into the accumulation of proteins into macroscopic complex coacervate phases, the lysozyme concentration in complex coacervates containing the cationic polyelectrolyte poly-(N,N dimethylaminoethyl methacrylate) and the anionic polyelectrolyte polyacrylic acid was investigated as a

  7. Macroscopic cumulative fatigue damage of material under nonsymmetrical cycle

    Institute of Scientific and Technical Information of China (English)

    盖秉政

    2002-01-01

    Hashin's macroscopic theory of fatigue damage is further discussed and a new method has been proposed for prediction of cumulative fatigue damage of material and its lifetime under nonsymmetrical cyclic loading.

  8. Large Deviations for the Macroscopic Motion of an Interface

    Science.gov (United States)

    Birmpa, P.; Dirr, N.; Tsagkarogiannis, D.

    2017-03-01

    We study the most probable way an interface moves on a macroscopic scale from an initial to a final position within a fixed time in the context of large deviations for a stochastic microscopic lattice system of Ising spins with Kac interaction evolving in time according to Glauber (non-conservative) dynamics. Such interfaces separate two stable phases of a ferromagnetic system and in the macroscopic scale are represented by sharp transitions. We derive quantitative estimates for the upper and the lower bound of the cost functional that penalizes all possible deviations and obtain explicit error terms which are valid also in the macroscopic scale. Furthermore, using the result of a companion paper about the minimizers of this cost functional for the macroscopic motion of the interface in a fixed time, we prove that the probability of such events can concentrate on nucleations should the transition happen fast enough.

  9. Quantum fluctuations, gauge freedom and mesoscopic/macroscopic stability

    Energy Technology Data Exchange (ETDEWEB)

    Del Giudice, E [Istituto Nazionale di Fisica Nucleare, Via Celoria 16, I-20133 Milan (Italy); Vitiello, G [Dipartimento di Matematica e Informatica, Universita di Salerno and Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Salerno, 84100 Salerno (Italy)

    2007-11-15

    We study how the mesoscopic/macroscopic stability of coherent extended domains is generated out of the phase locking between gauge field and matter field. The role of the radiative gauge field in sustaining the coherent regime is discussed.

  10. New Tests of Macroscopic Local Realism using Continuous Variable Measurements

    CERN Document Server

    Reid, M D

    2001-01-01

    We show that quantum mechanics predicts an Einstein-Podolsky-Rosen paradox (EPR), and also a contradiction with local hidden variable theories, for photon number measurements which have limited resolving power, to the point of imposing an uncertainty in the photon number result which is macroscopic in absolute terms. We show how this can be interpreted as a failure of a new, very strong premise, called macroscopic local realism. We link this premise to the Schrodinger-cat paradox. Our proposed experiments ensure all fields incident on each measurement apparatus are macroscopic. We show that an alternative measurement scheme corresponds to balanced homodyne detection of quadrature phase amplitudes. The implication is that where either EPR correlations or failure of local realism is predicted for continuous variable (quadrature phase amplitude) measurements, one can perform a modified experiment which would lead to conclusions about the much stronger premise of macroscopic local realism.

  11. Studies into the averaging problem: Macroscopic gravity and precision cosmology

    Science.gov (United States)

    Wijenayake, Tharake S.

    2016-08-01

    With the tremendous improvement in the precision of available astrophysical data in the recent past, it becomes increasingly important to examine some of the underlying assumptions behind the standard model of cosmology and take into consideration nonlinear and relativistic corrections which may affect it at percent precision level. Due to its mathematical rigor and fully covariant and exact nature, Zalaletdinov's macroscopic gravity (MG) is arguably one of the most promising frameworks to explore nonlinearities due to inhomogeneities in the real Universe. We study the application of MG to precision cosmology, focusing on developing a self-consistent cosmology model built on the averaging framework that adequately describes the large-scale Universe and can be used to study real data sets. We first implement an algorithmic procedure using computer algebra systems to explore new exact solutions to the MG field equations. After validating the process with an existing isotropic solution, we derive a new homogeneous, anisotropic and exact solution. Next, we use the simplest (and currently only) solvable homogeneous and isotropic model of MG and obtain an observable function for cosmological expansion using some reasonable assumptions on light propagation. We find that the principal modification to the angular diameter distance is through the change in the expansion history. We then linearize the MG field equations and derive a framework that contains large-scale structure, but the small scale inhomogeneities have been smoothed out and encapsulated into an additional cosmological parameter representing the averaging effect. We derive an expression for the evolution of the density contrast and peculiar velocities and integrate them to study the growth rate of large-scale structure. We find that increasing the magnitude of the averaging term leads to enhanced growth at late times. Thus, for the same matter content, the growth rate of large scale structure in the MG model

  12. Determination of kinetic parameters in Tl dosemeters of LiF: Mg, Cu, P + PTFE developed in the ININ; Determinacion de parametros cineticos en dosimetros Tl de LiF: Mg, Cu, P + PTFE desarrollados en el ININ

    Energy Technology Data Exchange (ETDEWEB)

    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

  13. Electrophysiological approach to determine kinetic parameters of sucrose uptake by single sieve elements or phloem parenchyma cells in intact Vicia faba plants

    Directory of Open Access Journals (Sweden)

    Jens B. Hafke

    2013-07-01

    Full Text Available Apart from a few using cut aphid stylets, no attempts have been made thus far to measure in vivo sucrose-uptake properties of sieve elements. We investigated the kinetics of sucrose uptake by single sieve elements and phloem parenchyma cells in Vicia faba plants. To this end, microelectrodes were inserted into free-lying phloem cells in the main vein of the youngest fully-expanded leaf, half-way along the stem, in the transition zone between the autotrophic and heterotrophic part of the stem, and in the root axis. A top-to-bottom membrane potential gradient of sieve elements was observed along the stem (-130 mV to -110 mV, while the membrane potential of the phloem parenchyma cells was stable (approx. -100 mV. In roots, the membrane potential of sieve elements dropped abruptly to -55 mV. Bathing solutions having various sucrose concentrations were administered and sucrose/H+-induced depolarisations were recorded. Data analysis by nonlinear least-square data fittings as well as by linear Eadie-Hofstee (EH -transformations pointed at biphasic Michaelis-Menten kinetics (2 MM, EH: Km1 1.2-1.8 mM, Km2 6.6-9.0 mM of sucrose uptake by sieve elements. However, Akaike’s Information Criterion (AIC favoured single MM kinetics. Using single MM as the best-fitting model, Km values for sucrose uptake by sieve elements decreased along the plant axis from 1 to 7 mM. For phloem parenchyma cells, higher Km values (EH: Km1 10 mM, Km2 70 mM as compared to sieve elements were found. In preliminary patch-clamp experiments with sieve-element protoplasts, small sucrose-coupled proton currents (-0.1 to -0.3 pA/ pF were detected in the whole-cell mode. In conclusion (a Km values for sucrose uptake measured by electrophysiology are similar to those obtained with heterologous systems, (b electrophysiology provides a useful tool for in-situ determination of Km values, (c As yet, it remains unclear if one or two uptake systems are involved in sucrose uptake by sieve

  14. Kinetic Transport in Crystals

    Science.gov (United States)

    Marklof, Jens

    2010-03-01

    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 stochastic process is the renormalization dynamics on the space of lattices, a powerful technique that has recently been successfully applied also to other open problems in mathematical physics, including KAM theory and quantum chaos. This lecture is based on joint work with Andreas Strömbergsson, Uppsala.

  15. Kinetic Atom.

    Science.gov (United States)

    Wilson, David B.

    1981-01-01

    Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

  16. Macroscopic Quantum Coherence in Magnetic Molecular Clusters

    Institute of Scientific and Technical Information of China (English)

    JIN Yan-Hong; NIE Yi-Hang; LIANG Jiu-Qing; PU Fu-Cho

    2001-01-01

    The oscillation of tunnel splitting in Fes molecular clusters is obtained as a function of magnetic field applied along the hard axis by means of the instanton method with both semiclassical treatment and the effective potential field description of the quantum spin system. The theoretical splittings of the instanton method are compared with the numerical result by diagonalization of spin Hamiltonian operators and experimental observations. By taking the appropriate parameters, our theoretical formula yields a result the same as the experimental observation.

  17. Microscopic and macroscopic models for the onset and progression of Alzheimer's disease

    Science.gov (United States)

    Bertsch, Michiel; Franchi, Bruno; Carla Tesi, Maria; Tosin, Andrea

    2017-10-01

    In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo. In Achdou et al (2013 J. Math. Biol. 67 1369–92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol. 34 193–214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β-Amyloid (Aβ from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia Aβ monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution function of

  18. Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Quan-De [College of Chemistry, Sichuan University, Chengdu (China); Wang, Jing-Bo; Li, Juan-Qin; Tan, Ning-Xin; Li, Xiang-Yuan [College of Chemical Engineering, Sichuan University, Chengdu (China)

    2011-02-15

    The initiation mechanisms and kinetics of pyrolysis and combustion of n-dodecane are investigated by using the reactive molecular dynamics (ReaxFF MD) simulation and chemical kinetic modeling. From ReaxFF MD simulations, we find the initiation mechanisms of pyrolysis of n-dodecane are mainly through two pathways, (1) the cleavage of C-C bond to form smaller hydrocarbon radicals, and (2) the dehydrogenation reaction to form an H radical and the corresponding n-C{sub 12}H{sub 25} radical. Another pathway is the H-abstraction reactions by small radicals including H, CH{sub 3}, and C{sub 2}H{sub 5}, which are the products after the initiation reaction of n-dodecane pyrolysis. ReaxFF MD simulations lead to reasonable Arrhenius parameters compared with experimental results based on first-order kinetic analysis of n-dodecane pyrolysis. The density/pressure effects on the pyrolysis of n-dodecane are also analyzed. By appropriate mapping of the length and time from macroscopic kinetic modeling to ReaxFF MD, a simple comparison of the conversion of n-dodecane from ReaxFF MD simulations and that from kinetic modeling is performed. In addition, the oxidation of n-dodecane is studied by ReaxFF MD simulations. We find that formaldehyde molecule is an important intermediate in the oxidation of n-dodecane, which has been confirmed by kinetic modeling, and ReaxFF leads to reasonable reaction pathways for the oxidation of n-dodecane. These results indicate that ReaxFF MD simulations can give an atomistic description of the initiation mechanism and product distributions of pyrolysis and combustion for hydrocarbon fuels, and can be further used to provide molecular based robust kinetic reaction mechanism for chemical kinetic modeling of hydrocarbon fuels. (author)

  19. The ratio of the kinetic inductance to the geometric inductance: a key parameter for the frequency tuning of the THz semiconductor split-ring resonator.

    Science.gov (United States)

    Cong, Jiawei; Yun, Binfeng; Cui, Yiping

    2013-08-26

    By introducing the frequency tuning sensitivity, an analytical model based on equivalent LC circuit is developed for the relative frequency tuning range of THz semiconductor split-ring resonator (SRR). And the model reveals that the relative tuning range is determined by the ratio of the kinetic inductance to the geometric inductance (RKG). The results show that under the same carrier density variation, a larger RKG results in a larger relative tuning range. Based on this model, a stacked SRR-dimer structure with larger RKG compared to the single SRR due to the inductive coupling is proposed, which improves the relative tuning range effectively. And the results obtained by the simple analytical model agree well with the numerical FDTD results. The presented analytical model is robust and can be used to analyze the relative frequency tuning of other tunable THz devices.

  20. THERMODYNAMIC AND KINETIC PARAMETERS OF MIXTURES DESULFURIZING THE MADE WITH CaO, MgO, SiO2 AND CaF2

    Directory of Open Access Journals (Sweden)

    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.

  1. Kinetic Typography

    DEFF Research Database (Denmark)

    van Leeuwen, Theo; Djonov, Emilia

    2014-01-01

    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....

  2. Investigation of MA Content Effect on Kinetic Parameter in ADS Core%MA 含量对 ADS 堆芯动力学参数的影响研究

    Institute of Scientific and Technical Information of China (English)

    罗润; 宋洪兵; 赵福宇

    2016-01-01

    The effective delayed neutron fraction (βef ),mean neutron generation time (Λ)and reactivity feedback coefficient (α)are the most important parameters in nuclear reactor kinetics.In this study,Monte Carlo method was applied to calculate the kinetic parameters of accelerator driven sub-critical system (ADS)cores,and the effect of mi-nor actinides (MA)content on these parameters was analyzed.The different contents of MA in the fuel were investigated to determine its effect on the kinetic parameters.The results show that when the content of MA reaches 5% in the fuel,theβef andΛ decrease by about 18% and 31%,respectively.With the increase of MA content from 0% to 5%,the average value of Doppler feedback coefficientαD varies from -0.56 pcm/K to-0.36 pcm/K,and the average value of coolant feedback coefficient αC varies from-2.1 1 pcm/K to -1.73 pcm/K.%有效缓发中子份额(βef )、平均中子代时间(Λ)和反应性反馈系数(α)是核反应堆动力学中至关重要的参数。本文采用蒙特卡罗方法计算了加速器驱动的次临界系统(ADS)堆芯的动力学参数,并分析了次锕系核素(MA)装载量对这些参数的影响。通过在燃料中添加不同含量的 MA,来研究其对 ADS堆芯动力学参数的影响。结果表明,当 MA 在燃料中的含量从0%增加到5%时,βef 和Λ的值分别降低了18%和31%,多普勒反馈系数平均值αD 由-0.56 pcm/K 变化到-0.36 pcm/K,冷却剂反馈系数平均值αC 由-2.11 pcm/K变化到-1.73 pcm/K。

  3. Ito equations out of domino cellular automaton with efficiency parameters

    CERN Document Server

    Czechowski, Zbigniew

    2011-01-01

    Ito equations are derived for simple stochastic cellular automaton with parameters and compared with results obtained from the histogram method. Good agreement for various parameters supports wide applicability of the Ito equation as a macroscopic model.

  4. A review of macroscopic ductile failure criteria.

    Energy Technology Data Exchange (ETDEWEB)

    Corona, Edmundo; Reedlunn, Benjamin

    2013-09-01

    The objective of this work was to describe several of the ductile failure criteria com- monly used to solve practical problems. The following failure models were considered: equivalent plastic strain, equivalent plastic strain in tension, maximum shear, Mohr- Coulomb, Wellman's tearing parameter, Johnson-Cook and BCJ MEM. The document presents the main characteristics of each failure model as well as sample failure predic- tions for simple proportional loading stress histories in three dimensions and in plane stress. Plasticity calculations prior to failure were conducted with a simple, linear hardening, J2 plasticity model. The resulting failure envelopes were plotted in prin- cipal stress space and plastic strain space, where the dependence on stress triaxiality and Lode angle are clearly visible. This information may help analysts select a ductile fracture model for a practical problem and help interpret analysis results.

  5. Macroscopic modelization of the cloud elasticity*

    Directory of Open Access Journals (Sweden)

    Etancelin J.-M.

    2013-12-01

    Full Text Available In order to achieve its promise of providing information technologies (IT on demand, cloud computing needs to rely on a mathematical model capable of directing IT on and off according to a demand pattern to provide a true elasticity. This article provides a first method to reach this goal using a “fluid type” partial differential equations model. On the one hand it examines the question of service time optimization for the simultaneous satisfaction of the cloud consumer and provider. On the other hand it tries to model a way to deliver resources according to the real time capacity of the cloud that depends on parameters such as burst requests and application timeouts. All these questions are illustrated via an implicit finite volume scheme.

  6. Macroscopic motion of sheath-connected blobs in magnetic fields with arbitrary topology

    Science.gov (United States)

    Stepanenko, A. A.; Lee, W.; Krasheninnikov, S. I.

    2017-01-01

    In this study, macroscopic motion of sheath-connected blobs in magnetic fields, having arbitrary topology of the field lines and unfrozen in plasma, is analyzed within the electrostatic limit. Two distinct cases of magnetic configurations, with small and large curvature of the field lines, are considered and the criterion to discern them is deduced. For magnetic configurations with small curvature of the field lines, it is demonstrated that asymmetry of plasma distribution at the blob ends can drive macroscopic motion of a filament due to formation of unequal sheath potentials and establishing the effective Boltzmann potential. For a specific case of magnetic fields with small curvature of the field lines and identical metrics at the sheaths, we show that macroscopic motion of a plasma filament is determined by an effective electrostatic potential, which remains constant in time. For magnetic configurations with large curvature of the field lines, it is shown that motion of sufficiently large blobs is governed by integral distribution of plasma and magnetic field parameters along the field lines leading to blob adjusting its shape and position to the lead of the magnetic field lines in the course of its motion, whereas propagation of small and medium sized blobs can be represented as mutually independent motion of filament transverse cross-sections across the magnetic field lines. The qualitative conclusions on regularities of filament motion are supplied with numerical simulations of blob dynamics in two cases of tokamak-like magnetic fields with sheared and non-sheared field lines.

  7. Monitoring road traffic congestion using a macroscopic traffic model and a statistical monitoring scheme

    KAUST Repository

    Zeroual, Abdelhafid

    2017-08-19

    Monitoring vehicle traffic flow plays a central role in enhancing traffic management, transportation safety and cost savings. In this paper, we propose an innovative approach for detection of traffic congestion. Specifically, we combine the flexibility and simplicity of a piecewise switched linear (PWSL) macroscopic traffic model and the greater capacity of the exponentially-weighted moving average (EWMA) monitoring chart. Macroscopic models, which have few, easily calibrated parameters, are employed to describe a free traffic flow at the macroscopic level. Then, we apply the EWMA monitoring chart to the uncorrelated residuals obtained from the constructed PWSL model to detect congested situations. In this strategy, wavelet-based multiscale filtering of data has been used before the application of the EWMA scheme to improve further the robustness of this method to measurement noise and reduce the false alarms due to modeling errors. The performance of the PWSL-EWMA approach is successfully tested on traffic data from the three lane highway portion of the Interstate 210 (I-210) highway of the west of California and the four lane highway portion of the State Route 60 (SR60) highway from the east of California, provided by the Caltrans Performance Measurement System (PeMS). Results show the ability of the PWSL-EWMA approach to monitor vehicle traffic, confirming the promising application of this statistical tool to the supervision of traffic flow congestion.

  8. Time-dependent mechanical behavior of human amnion: macroscopic and microscopic characterization.

    Science.gov (United States)

    Mauri, Arabella; Perrini, Michela; Ehret, Alexander E; De Focatiis, Davide S A; Mazza, Edoardo

    2015-01-01

    Characterizing the mechanical response of the human amnion is essential to understand and to eventually prevent premature rupture of fetal membranes. In this study, a large set of macroscopic and microscopic mechanical tests have been carried out on fresh unfixed amnion to gain insight into the time-dependent material response and the underlying mechanisms. Creep and relaxation responses of amnion were characterized in macroscopic uniaxial tension, biaxial tension and inflation configurations. For the first time, these experiments were complemented by microstructural information from nonlinear laser scanning microscopy performed during in situ uniaxial relaxation tests. The amnion showed large tension reduction during relaxation and small inelastic strain accumulation in creep. The short-term relaxation response was related to a concomitant in-plane and out-of-plane contraction, and was dependent on the testing configuration. The microscopic investigation revealed a large volume reduction at the beginning, but no change of volume was measured long-term during relaxation. Tension-strain curves normalized with respect to the maximum strain were highly repeatable in all configurations and allowed the quantification of corresponding characteristic parameters. The present data indicate that dissipative behavior of human amnion is related to two mechanisms: (i) volume reduction due to water outflow (up to ∼20 s) and (ii) long-term dissipative behavior without macroscopic deformation and no systematic global reorientation of collagen fibers.

  9. Density functional theory investigation of competitive free-radical processes during the thermal cracking of methylated polyaromatics: estimation of kinetic parameters.

    Science.gov (United States)

    Leininger, J-Philippe; Minot, Christian; Lorant, François; Behar, Françoise

    2007-04-26

    Density functional B3LYP and BH&HLYP calculations with the 6-31G** basis set have been performed to investigate elementary reactions playing an important role in the pyrolysis of 1-methylnaphthalene. The pathways describing the destiny of the main radicals, H, methyl, hydromethylnaphthyl and methylnaphthyl, have been studied. At low temperature, addition of H atoms on the aromatic ring is favored over hydrogen abstraction. Except at low temperature (below 400 K), the hydromethylnaphthyl radical undergoes preferentially a loss of hydrogen rather than a bimolecular hydrogen transfer with methylnaphthalene or addition reaction on methylnaphthalene forming a hydrogenated dimer. In the range 400-750 K, the formation of methane by hydrogen abstraction of methyl radical on methylnaphthalene is predominant compared to the formation of hydrodimethylnaphthalenes by addition reaction. Rate constants of reactions describing the formation of heavy products like methyldinaphthylmethanes or dimethylbinaphthalenes have been calculated and discussed. They are also compared to recombination reactions from the literature. Rate constants of these reactions have been computed using transition state theory and can be integrated in kinetic radical schemes of methylated polyaromatic compounds pyrolysis from geological to laboratory conditions.

  10. Electrowinning of Nickel from ammonical sulphate bath and effect of acetone on morphology of nickel deposit and its correlation with kinetic parameters

    Directory of Open Access Journals (Sweden)

    Borikar, D. K.

    2006-01-01

    Full Text Available The electrodeposition of nickel from nickel sulphate bath was studied in ammonia medium. The electrolytic conditions for nickel deposition was optimized at room temperature. The effect of acetone on current efficiency, morphology, stability and particle size of deposited nickel powder was studied. The effect of organic additive Tribenzyl ammonium chloride (TBAC on the morphology of nickel powder was also studied. The kinetics of electrodeposition was studied and the results were utilized in developing mathematical model. During electrodeposition the current efficiency was found to increase with increase in acetone concentration up to 15% V/V in bath solution. On further increase of acetone concentration in bath solution current efficiency decreases. The stability of the electrowon deposited nickel powder was found to be in the range of 85 to 89 %. Powder morphology was found to be dentritic, porous and irregular. The morphology was also found to be underdeveloped dentritic to rounded aggregate as the concentration of organic additive TBAC increases. The average particle size of the deposited powder was found to be decreasing as the concentration of the acetone increases. The average size of the particle is in the range of 13-16 m.

  11. Macroscopic polarization and bowing constant of Al{sub x}Ga{sub 1−x}N

    Energy Technology Data Exchange (ETDEWEB)

    Pansari, A.; Gedam, V.; Sahoo, B.K., E-mail: bksahoo.phy@nitrr.ac.in

    2015-01-01

    In this work, we have theoretically investigated the effect of macroscopic polarization (sum of spontaneous and piezoelectric polarization) on various thermal parameters of Al{sub x}Ga{sub 1−x}N alloy. The macroscopic polarization contributes to the effective elastic constant of Al{sub x}Ga{sub 1−x}N alloy. This contribution modifies the phonon group velocity, Debye temperature and Debye frequency of the alloy. The revised values of these thermal parameters have been estimated as a function of Al composition. Our calculation shows that these thermal parameters are enhanced and vary non-linearly with Al composition i.e., they show bowing. The cause of this bowing is the non linear dependence of spontaneous and piezoelectric polarization on Al composition. The bowing constant of above thermal parameters (with and without polarization) has been theoretically predicted by method of best fit. The results show that polarization mechanism not only enhances the parameters but also contribute significantly to bowing constant. The macroscopic polarization contributes around 48% to bowing constant of above thermal parameters. The obtained result will be useful for simulation of nitride optoelectronics devices to predict the effect of polarization mechanism on thermoelectric properties of Al{sub x}Ga{sub 1−x}N alloy.

  12. Macroscopic descriptions of rarefied gases from the elimination of fast variables

    Science.gov (United States)

    Dellar, Paul J.

    2007-10-01

    The Boltzmann equation describing a dilute monatomic gas is equivalent to an infinite hierarchy of evolution equations for successive moments of the distribution function. The five moments giving the macroscopic mass, momentum, and energy densities are unaffected by collisions between atoms, while all other moments naturally evolve on a fast collisional time scale. We show that the macroscopic equations of Chen, Rao, and Spiegel [Phys. Lett. A 271, 87 (2000)], like the familiar Navier-Stokes-Fourier equations, emerge from using a systematic procedure to eliminate the higher moments, leaving closed evolution equations for the five moments unaffected by collisions. The two equation sets differ through their treatment of contributions from the temperature to the momentum and energy fluxes. Using moment equations offers a definitive treatment of the Prandtl number problem using model collision operators, greatly reduces the labor of deriving equations for different collision operators, and clarifies the role of solvability conditions applied to the distribution function. The original Chen-Rao-Spiegel approach offers greatly improved agreement with experiments for the phase speed of ultrasound, but when corrected to match the Navier-Stokes-Fourier equations at low frequencies, it then underestimates the phase speed at high frequencies. Our introduction of a translational temperature, as in the kinetic theory of polyatomic gases, motivates a distinction in the energy flux between advection of internal energy and the work done by the pressure. Exploiting this distinction yields macroscopic equations that offer further improvement in agreement with experimental data, and arise more naturally as an approximation to the infinite hierarchy of evolution equations for moments.

  13. Bifurcation of resistive wall mode dynamics predicted by magnetohydrodynamic-kinetic hybrid theory

    Energy Technology Data Exchange (ETDEWEB)

    Yang, S. X.; Wang, Z. X., E-mail: zxwang@dlut.edu.cn [Key Laboratory of Materials Modification by Beams of the Ministry of Education, School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China); Wang, S.; Hao, G. Z., E-mail: haogz@swip.ac.cn; Song, X. M.; Wang, A. K. [Southwestern Institute of Physics, P.O.Box 432, Chengdu 610041 (China); Liu, Y. Q. [Culham Centre for Fusion Energy, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Southwestern Institute of Physics, P.O.Box 432, Chengdu 610041 (China)

    2015-09-15

    The magnetohydrodynamic-kinetic hybrid theory has been extensively and successfully applied for interpreting experimental observations of macroscopic, low frequency instabilities, such as the resistive wall mode, in fusion plasmas. In this work, it is discovered that an analytic version of the hybrid formulation predicts a bifurcation of the mode dynamics while varying certain physical parameters of the plasma, such as the thermal particle collisionality or the ratio of the thermal ion to electron temperatures. This bifurcation can robustly occur under reasonably large parameter spaces as well as with different assumptions, for instance, on the particle collision model. Qualitatively similar bifurcation features are also observed in full toroidal computations presented in this work, based on a non-perturbative hybrid formulation.

  14. Determination of the best-fit values of kinetic parameters of the Michaelis-Menten equation by the method of least squares with the Taylor expansion.

    Science.gov (United States)

    Sakoda, M; Hiromi, K

    1976-09-01

    The best-fit values of the Michaelis constant (Km) and the maximum velocity (V) in the Michaelis-Menten equation can be obtained by the method of least squares with the Taylor expansion for the sum of squares of the absolute residual, i.e., the difference between the observed velocity and the corresponding velocity by calculation. This method makes it possible to determine the values of Km and V not in a trial-and-error manner but in a deductive and unique manner after some iterative procedures starting from arbitrary approximate values of Km and V. These values can be said to be uniquely determined for a set of data as the finally converged values are no longer dependent upon the initial approximate values of Km and V. It is also very important to obtain initial approximate values of parameters for the application of the method described above. A simple method is proposed to estimate the approximate values of parameters involved in fractional functions. The method of rearrangement after canceling of denominator of a fractional function can be utilized to obtain approximate values, not only for cases of two unknown parameters such as the Michaelis-Menten equation, but also for cases with more than two unknowns.

  15. Success and failure assessing gonad maturity in sequentially hermaphroditic fishes: comparisons between macroscopic and microscopic methods.

    Science.gov (United States)

    Klibansky, N; Scharf, F S

    2015-10-01

    For two protogynous hermaphrodite fish species, the performance of visual gonad analysis techniques was evaluated to determine when the use of macroscopic methods was sufficient and when microscopic techniques were necessary. Simple macroscopic gonad analysis was found to be a powerful tool for distinguishing sex and whether or not females were spawning capable or ripe for black sea bass Centropristis striata (n = 1443) and red porgy Pagrus pagrus (n = 980), often producing results that were in close agreement with more complex and expensive microscopic techniques. Estimates of key reproductive variables, such as size-dependent sex-change ogives, spawning season duration, spawning fraction and batch number, were also very similar or equal between methods. Apparent seasonal spawning activity was also predicted similarly by each method and the patterns were highly correlated with seasonal patterns in gonado-somatic indices. In contrast, distinguishing between immature females and those that were mature, but inactive, proved difficult when using macroscopic methods and, in these cases, predictions often differed from those produced microscopically. In turn, maturity ogives differed significantly between methods for C. striata (maturity ogives could not be generated for P. pagrus as nearly all fish encountered were mature). Agreement rates among male phases were also very low. Macroscopic methods were able to identify signs of sex transition in very advanced specimens, but early signs were only evident microscopically. While much more detail is visible microscopically, here several population-scale parameters important for fisheries management were estimated equally well with the unaided eye for C. striata and P. pagrus. For comprehensive, fishery-independent surveys and long-term research programmes in particular, determining when microscopic techniques are and are not necessary can greatly improve efficiency and reduce costs without compromising data quality.

  16. Dynamic contrast-enhanced CT of head and neck tumors: perfusion measurements using a distributed-parameter tracer kinetic model. Initial results and comparison with deconvolution-based analysis

    Science.gov (United States)

    Bisdas, Sotirios; Konstantinou, George N.; Sherng Lee, Puor; Thng, Choon Hua; Wagenblast, Jens; Baghi, Mehran; San Koh, Tong

    2007-10-01

    The objective of this work was to evaluate the feasibility of a two-compartment distributed-parameter (DP) tracer kinetic model to generate functional images of several physiologic parameters from dynamic contrast-enhanced CT data obtained of patients with extracranial head and neck tumors and to compare the DP functional images to those obtained by deconvolution-based DCE-CT data analysis. We performed post-processing of DCE-CT studies, obtained from 15 patients with benign and malignant head and neck cancer. We introduced a DP model of the impulse residue function for a capillary-tissue exchange unit, which accounts for the processes of convective transport and capillary-tissue exchange. The calculated parametric maps represented blood flow (F), intravascular blood volume (v1), extravascular extracellular blood volume (v2), vascular transit time (t1), permeability-surface area product (PS), transfer ratios k12 and k21, and the fraction of extracted tracer (E). Based on the same regions of interest (ROI) analysis, we calculated the tumor blood flow (BF), blood volume (BV) and mean transit time (MTT) by using a modified deconvolution-based analysis taking into account the extravasation of the contrast agent for PS imaging. We compared the corresponding values by using Bland-Altman plot analysis. We outlined 73 ROIs including tumor sites, lymph nodes and normal tissue. The Bland-Altman plot analysis revealed that the two methods showed an accepted degree of agreement for blood flow, and, thus, can be used interchangeably for measuring this parameter. Slightly worse agreement was observed between v1 in the DP model and BV but even here the two tracer kinetic analyses can be used interchangeably. Under consideration of whether both techniques may be used interchangeably was the case of t1 and MTT, as well as for measurements of the PS values. The application of the proposed DP model is feasible in the clinical routine and it can be used interchangeably for measuring

  17. Dynamic contrast-enhanced CT of head and neck tumors: perfusion measurements using a distributed-parameter tracer kinetic model. Initial results and comparison with deconvolution-based analysis

    Energy Technology Data Exchange (ETDEWEB)

    Bisdas, Sotirios [Department of Diagnostic and Interventional Radiology, Johann Wolfgang GoeUniversity Hospital, 60590 Frankfurt (Germany); Konstantinou, George N [401 General Military Hospital, Athens (Greece); Lee, Puor Sherng [Department of Oncologic Imaging National Cancer Centre, 169610 Singapore (Singapore); Thng, Choon Hua [Department of Oncologic Imaging National Cancer Centre, 169610 Singapore (Singapore); Wagenblast, Jens [Department of Otorhinolaryngology, Johann Wolfgang GoeUniversity Hospital, 60590 Frankfurt (Germany); Baghi, Mehran [Department of Otorhinolaryngology, Johann Wolfgang GoeUniversity Hospital, 60590 Frankfurt (Germany); Koh, Tong San [Center for Modeling and Control of Complex Systems, Nanyang Technological University, 639798 Singapore (Singapore)

    2007-10-21

    The objective of this work was to evaluate the feasibility of a two-compartment distributed-parameter (DP) tracer kinetic model to generate functional images of several physiologic parameters from dynamic contrast-enhanced CT data obtained of patients with extracranial head and neck tumors and to compare the DP functional images to those obtained by deconvolution-based DCE-CT data analysis. We performed post-processing of DCE-CT studies, obtained from 15 patients with benign and malignant head and neck cancer. We introduced a DP model of the impulse residue function for a capillary-tissue exchange unit, which accounts for the processes of convective transport and capillary-tissue exchange. The calculated parametric maps represented blood flow (F), intravascular blood volume (v{sub 1}), extravascular extracellular blood volume (v{sub 2}), vascular transit time (t{sub 1}), permeability-surface area product (PS), transfer ratios k{sub 12} and k{sub 21}, and the fraction of extracted tracer (E). Based on the same regions of interest (ROI) analysis, we calculated the tumor blood flow (BF), blood volume (BV) and mean transit time (MTT) by using a modified deconvolution-based analysis taking into account the extravasation of the contrast agent for PS imaging. We compared the corresponding values by using Bland-Altman plot analysis. We outlined 73 ROIs including tumor sites, lymph nodes and normal tissue. The Bland-Altman plot analysis revealed that the two methods showed an accepted degree of agreement for blood flow, and, thus, can be used interchangeably for measuring this parameter. Slightly worse agreement was observed between v{sub 1} in the DP model and BV but even here the two tracer kinetic analyses can be used interchangeably. Under consideration of whether both techniques may be used interchangeably was the case of t{sub 1} and MTT, as well as for measurements of the PS values. The application of the proposed DP model is feasible in the clinical routine and it

  18. Degradation of dibutyl phthalate (DBP) by UV-254 nm/H2O2 photochemical oxidation: kinetics and influence of various process parameters.

    Science.gov (United States)

    Wang, Dong; Duan, Xiaodi; He, Xuexiang; Dionysiou, Dionysios D

    2016-12-01

    Degradation of dibuytl phthalate (DBP), a plasticizer and also a widely distributed endocrine disruptor, by UV-254 nm/H2O2 advanced oxidation process (AOP) was investigated in this study. A significant DBP removal of 77.1 % at an initial concentration of 1.0 μM was achieved at UV fluence of 160 mJ/cm(2), initial H2O2 dosage of 1.0 mM, and pH of 7.6 ± 0.1. The DBP degradation exhibited a pseudo-first-order reaction kinetic pattern, with the rate constants linearly increasing with increasing H2O2 dosage while decreasing with increasing initial DBP concentration and pH value in a specific range. DBP destruction was significantly inhibited in the presence of alkalinity and natural organic matter (NOM), two known factors that should be taken a serious consideration of in the research and design of UV/H2O2-based AOPs. Presence of common inorganic anions (i.e., Cl(-), SO4(2-), and NO3(-)) and metal cations (i.e., Fe(3+) and Zn(2+)) had a slight impact on the degradation of DBP, although Cu(2+) could improve the degradation efficiency even at a concentration as low as 0.01 mg/L, suggesting a strong potential of applying UV/H2O2 for the removal of DBP with an environmental relevant level of copper.

  19. Enhancing toxic protein expression in Escherichia coli fed-batch culture using kinetic parameters: Human granulocyte-macrophage colony-stimulating factor as a model system.

    Science.gov (United States)

    Khasa, Yogender Pal; Khushoo, Amardeep; Mukherjee, Krishna Jyoti

    2013-03-01

    The kinetics of recombinant human granulocyte-macrophage colony-stimulating factor (hGM-CSF) expression was studied under the strong T7 promoter in continuous culture of Escherichia coli using complex medium to design an optimum feeding strategy for high cell density cultivation. Continuous culture studies were done at different dilution rates and the growth and product formation profiles were monitored post-induction. Recombinant protein expression was in the form of inclusion bodies with a maximum specific product formation rate (q(p)) of 63.5 mg g(-1) DCW h(-1) at a dilution rate (D) of 0.3 h(-1). The maximum volumetric product concentration achieved at this dilution rate was 474 mg l(-1), which translated a ~1.4 and ~1.75 folds increase than the values obtained at dilution rates of 0.2 h(-1) and 0.4 h(-1) respectively. The specific product yield (Y(P/x)) peaked at 138 mg g(-1) DCW, demonstrating a ~1.6 folds increase in the values obtained at other dilution rates. A drop in q(p) was observed within 5-6 h of induction at all the dilution rates, possibly due to protein toxicity and metabolic stress associated with protein expression. The data from the continuous culture studies allowed us to design an optimal feeding strategy and induction time in fed-batch cultures which resulted in a maximum product concentration of 3.95 g l(-1) with a specific hGM-CSF yield (Y(P/x)) of 107 mg g(-1) DCW.

  20. Extended Macroscopic Study of Dilute Gas Flow within a Microcavity

    Directory of Open Access Journals (Sweden)

    Mohamed Hssikou

    2016-01-01

    Full Text Available The behaviour of monatomic and dilute gas is studied in the slip and early transition regimes using the extended macroscopic theory. The gas is confined within a two-dimensional microcavity where the longitudinal sides are in the opposite motion with constant velocity ±Uw. The microcavity walls are kept at the uniform and reference temperature T0. Thus, the gas flow is transported only by the shear stress induced by the motion of upper and lower walls. From the macroscopic point of view, the regularized 13-moment equations of Grad, R13, are solved numerically. The macroscopic gas proprieties are studied for different values of the so-called Knudsen number (Kn, which gives the gas-rarefaction degree. The results are compared with those obtained using the classical continuum theory of Navier-Stokes and Fourier (NSF.

  1. Geometric aspects of Schnakenberg's network theory of macroscopic nonequilibrium observables

    Science.gov (United States)

    Polettini, M.

    2011-03-01

    Schnakenberg's network theory deals with macroscopic thermodynamical observables (forces, currents and entropy production) associated to the steady states of diffusions on generic graphs. Using results from graph theory and from the theory of discrete differential forms we recast Schnakenberg's treatment in the form of a simple discrete gauge theory, which allows to interpret macroscopic forces as the Wilson loops of a real connection. We discuss the geometric properties of transient states, showing that heat fluxes allow for a notion of duality of macroscopic observables which interchanges the role of the environment and that of the system. We discuss possible generalizations to less trivial gauge groups and the relevance for nonequilibrium fluctuation theorems. Based on work in collaboration with professor A. Maritan, University of Padua, to be published.

  2. Broadband Macroscopic Cortical Oscillations Emerge from Intrinsic Neuronal Response Failures

    Directory of Open Access Journals (Sweden)

    Amir eGoldental

    2015-10-01

    Full Text Available Broadband spontaneous macroscopic neural oscillations are rhythmic cortical firing which was extensively examined during the last century, however, their possible origination is still controversial. In this work we show how macroscopic oscillations emerge in solely excitatory random networks and without topological constraints. We experimentally and theoretically show that these oscillations stem from the counterintuitive underlying mechanism - the intrinsic stochastic neuronal response failures. These neuronal response failures, which are characterized by short-term memory, lead to cooperation among neurons, resulting in sub- or several- Hertz macroscopic oscillations which coexist with high frequency gamma oscillations. A quantitative interplay between the statistical network properties and the emerging oscillations is supported by simulations of large networks based on single-neuron in-vitro experiments and a Langevin equation describing the network dynamics. Results call for the examination of these oscillations in the presence of inhibition and external drives.

  3. Reconciling power laws in microscopic and macroscopic neural recordings

    CERN Document Server

    Pettersen, Klas H; Tetzlaff, Tom; Einevoll, Gaute T

    2013-01-01

    Power laws, characterized by quantities following 1/x^\\alpha{} distributions, are commonly reported when observing nature or society, and the question of their origin has for a long time intrigued physicists. Power laws have also been observed in neural recordings, both at the macroscopic and microscopic levels: at the macroscopic level, the power spectral density (PSD) of the electroencephalogram (EEG) has been seen to follow 1/f^\\alpha{} distributions; at the microscopic level similar power laws have been observed in single-neuron recordings of the neuronal soma potential and soma current, yet with different values of the power-law exponent \\alpha. In this theoretical study we find that these observed macroscopic and microscopic power laws may, despite the widely different spatial scales and different exponents, have the same source. By a combination of simulation on a biophysical detailed, pyramidal neuron model and analytical investigations of a simplified ball and stick neuron, we find that the transfer ...

  4. Thermodynamics and kinetics of vapor bubbles nucleation in one-component liquids.

    Science.gov (United States)

    Alekseechkin, Nikolay V

    2012-08-09

    The multivariable theory of nucleation (J. Chem. Phys. 2006, 124, 124512) is applied to the problem of vapor bubbles formation in pure liquids. The presented self-consistent macroscopic theory of this process employs thermodynamics (classical, statistical, and linear nonequilibrium), hydrodynamics, and interfacial kinetics. As a result of thermodynamic study of the problem, the work of formation of a bubble is obtained and parameters of the critical bubble are determined. The variables V (the bubble volume), ρ (the vapor density), and T (the vapor temperature) are shown to be natural for the given task. An equation for the dependence of surface tension on bubble state parameters is obtained. An algorithm of writing the equations of motion of a bubble in the space {V, ρ, T}--equations for V, ρ, and T--is offered. This algorithm ensures symmetry of the matrix of kinetic coefficients. The equation for T written on the basis of this algorithm is shown to represent the first law of thermodynamics for a bubble. The negative eigenvalue of the motion equations which alongside with the work of the critical bubble formation determines the stationary nucleation rate of bubbles is obtained. Various kinetic limits are considered. One of the kinetic constraints leads to the fact that the nucleation cannot occur in the whole metastable region; it occurs only in some subregion of the latter. Zeldovich's theory of cavitation is shown to be a limiting case of the theory presented. The limiting effects of various kinetic processes on the nucleation rate of bubbles are shown analytically. These are the inertial motion of a liquid as well as the processes of particles exchange and heat exchange between a bubble and surrounding liquid. The nucleation rate is shown to be determined by the slowest kinetic process at positive and moderately negative pressures in a liquid. The limiting effects of the processes of evaporation-condensation and heat exchange vanish at high negative

  5. Microscopic and macroscopic infarct complicating pediatric epilepsy surgery.

    Science.gov (United States)

    Rubinger, Luc; Hazrati, Lili-Naz; Ahmed, Raheel; Rutka, James; Snead, Carter; Widjaja, Elysa

    2017-03-01

    There is some suggestion that microscopic infarct could be associated with invasive monitoring, but it is unclear if the microscopic infarct is also visible on imaging and associated with neurologic deficits. The aims of this study were to assess the rates of microscopic and macroscopic infarct and other major complications of pediatric epilepsy surgery, and to determine if these complications were higher following invasive monitoring. We reviewed the epilepsy surgery data from a tertiary pediatric center, and collected data on microscopic infarct on histology and macroscopic infarct on postoperative computed tomography (CT) or magnetic resonance imaging (MRI) done one day after surgery and major complications. Three hundred fifty-two patients underwent surgical resection and there was one death. Forty-two percent had invasive monitoring. Thirty patients (9%) had microscopic infarct. Univariable analyses showed that microscopic infarct was higher among patients with invasive monitoring relative to no invasive monitoring (20% vs. 0.5%, respectively, p microscopic infarct had transient right hemiparesis, and two with both macroscopic and microscopic infarct had unexpected persistent neurologic deficits. Thirty-two major complications (9.1%) were reported, with no difference in major complications between invasive monitoring and no invasive monitoring (10% vs. 7%, p = 0.446). In the multivariable analysis, invasive monitoring increased the odds of microscopic infarct (odds ratio [OR] 15.87, p = 0.009), but not macroscopic infarct (OR 2.6, p = 0.173) or major complications (OR 1.4, p = 0.500), after adjusting for age at surgery, sex, age at seizure onset, operative type, and operative location. Microscopic infarct was associated with invasive monitoring, and none of the patients had permanent neurologic deficits. Macroscopic infarct was not associated with invasive monitoring, and two patients with macroscopic infarct had persistent neurologic deficits. Wiley

  6. 基于加速度计的汽车动力学参数采集平台设计%Data Acquisition Platform for Automobile Kinetic Parameters Based on Accelerometer ADXL330

    Institute of Scientific and Technical Information of China (English)

    陈泽军

    2011-01-01

    为了方便采集汽车运动中的动力学数据,设计了一种基于加速度计ADXL330的汽车动力学参数采集平台.采用集成CAN协议模块的MC9S12DJ256单片机作为控制器,可以及时、准确地对汽车运动的相关信息进行数据采集、分析和计算.在此平台基础上进行二次开发,可应用于汽车自动变速器、汽车安全气囊(Airbag)、ABS防抱死刹车系统、电子稳定程序(ESP)等方面.%In order to obtain the kinetic data in automobile motion, a data acquisition platform for automobile kinetic parameters based on accelerometer ADXL330 is designed.The platform uses MC9S12DJ256 of integrated CAN protocol module as a controller to collect, analyze and compute the vehicle movement's information timely and accurately.The data acquisition platform-based secondary development can be applied to The automatic transmission, safe airbag, anti-locked braking system, electronic stability program(ESP)and so on.

  7. Approximating macroscopic observables in quantum spin systems with commuting matrices

    CERN Document Server

    Ogata, Yoshiko

    2011-01-01

    Macroscopic observables in a quantum spin system are given by sequences of spatial means of local elements $\\frac{1}{2n+1}\\sum_{j=-n}^n\\gamma_j(A_{i}), \\; n\\in{\\mathbb N},\\; i=1,...,m$ in a UHF algebra. One of their properties is that they commute asymptotically, as $n$ goes to infinity. It is not true that any given set of asymptotically commuting matrices can be approximated by commuting ones in the norm topology. In this paper, we show that for macroscopic observables, this is true.

  8. On the notion of a macroscopic quantum system

    CERN Document Server

    Khrenikov, A Yu

    2004-01-01

    We analyse the notion of macroscopic quantum system from the point of view of the statistical structure of quantum theory. We come to conclusion that the presence of interference of probabilities should be used the main characteristic of quantumness (in the opposition to N. Bohr who permanently emphasized the crucial role of quantum action). In the light of recent experiments with statistical ensembles of people who produced interference of probabilities for special pairs of questions (which can be considered as measurements on people) human being should be considered as a macroscopic quantum system. There is also discussed relation with experiments of A. Zeilinger on interference of probabilities for macromoleculas.

  9. Stimuli-deformable graphene materials: from nanosheet to macroscopic assembly

    Directory of Open Access Journals (Sweden)

    Fei Zhao

    2016-04-01

    Full Text Available Stimulus-induced deformation (SID of graphene-based materials has triggered rapidly increasing research interest due to the spontaneous response to external stimulations, which enables precise configurational regulation of single graphene nanosheets (GNSs through control over the environmental conditions. While the micro-strain of GNS is barely visible, the deformation of graphene-based macroscopic assemblies (GMAs is remarkable, thereby presenting significant potential for future application in smart devices. This review presents the current progress of SID of graphene in the manner of nanosheets and macroscopic assemblies in both the experimental and theoretical fronts, and summarizes recent advancements of SID of graphene for applications in smart systems.

  10. Liquid-liquid transition without macroscopic phase separation in a water-glycerol mixture

    Science.gov (United States)

    Murata, Ken-Ichiro; Tanaka, Hajime

    2012-05-01

    The existence of more than two liquid states in a single-component substance and the ensuing liquid-liquid transitions (LLTs) has attracted considerable attention because of its counterintuitive nature and its importance in the fundamental understanding of the liquid state. Here we report direct experimental evidence for a genuine (isocompositional) LLT without macroscopic phase separation in an aqueous solution of glycerol. We show that liquid I transforms into liquid II by way of two types of kinetics: nucleation and growth, and spinodal decomposition. Although liquid II is metastable against crystallization, we could access both its static and dynamical properties experimentally. We find that liquids I and II differ in density, refractive index, structure, hydrogen bonding state, glass transition temperature and fragility, and that the transition between the two liquids is mainly driven by the local structuring of water rather than of glycerol, suggesting a link to a plausible LLT inpure water.

  11. Single-molecule enzymology of steroid transforming enzymes: Transient kinetic studies and what they tell us.

    Science.gov (United States)

    Penning, Trevor M

    2016-07-01

    Structure-function studies on steroid transforming enzymes often use site-directed mutagenesis to inform mechanisms of catalysis and effects on steroid binding, and data are reported in terms of changes in steady state kinetic parameters kcat, Km and kcat/Km. However, this dissection of function is limited since kcat is governed by the rate-determining step and Km is a complex macroscopic kinetic constant. Often site-directed mutagenesis can lead to a change in the rate-determining step which cannot be revealed by just reporting a decrease in kcat alone. These issues are made more complex when it is considered that many steroid transforming enzymes have more than one substrate and product. We present the case for using transient-kinetics performed with stopped-flow spectrometry to assign rate constants to discrete steps in these multi-substrate reactions and their use to interpret enzyme mechanism and the effects of disease and engineered mutations. We demonstrate that fluorescence kinetic transients can be used to measure ligand binding that may be accompanied by isomerization steps, revealing the existence of new enzyme intermediates. We also demonstrate that single-turnover reactions can provide a klim for the chemical step and Ks for steroid-substrate binding and that when coupled with kinetic isotope effect measurements can provide information on transition state intermediates. We also demonstrate how multiple turnover experiments can provide evidence for either "burst-phase" kinetics, which can reveal a slow product release step, or linear-phase kinetics, in which the chemical step can be rate-determining. With these assignments it becomes more straightforward to analyze the effects of mutations. We use examples from the hydroxysteroid dehydrogenases (AKR1Cs) and human steroid 5β-reductase (AKR1D1) to illustrate the utility of the approach, which are members of the aldo-keto reductase (AKR) superfamily.

  12. Modelling the anaerobic digestion of solid organic waste - Substrate characterisation method for ADM1 using a combined biochemical and kinetic parameter estimation approach.

    Science.gov (United States)

    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.

  13. Kinetic parameters as determinants of vertical jump performance. DOI: 10.5007/1980-0037.2012v14n1p41

    Directory of Open Access Journals (Sweden)

    Saray Giovana dos Santos

    2012-01-01

    Full Text Available The aim of this study was to identify force and velocity parameters related to vertical jump performance in counter movement jump (CMJ and squat jump (SJ, and to compare these parameters between sprint runners and volleyball players. Twenty-four male athletes (12 regional/national-level sprint runners and 12 national-level volleyball players participated in this study. The athletes performed CMJ and SJ on a force platform. The following variables were analyzed: jump performance (jump height and power, peak velocity (PV, absolute and relative maximum force (Fmax, rate of force development (RFD, and time to reach maximum force (TFmax. In CMJ, jump height was correlated with PV (r=0.97 and normalized Fmax (r=0.47, whereas jump power was significantly correlated with all variables, except for Fmax (r=0.12. In SJ, PV and normalized Fmax were significantly correlated with jump height (r=0.95 and r=0.51, respectively and power (r=0.80 and r=0.87, respectively. In addition, TFmax was inversely correlated with power (r=-0.49. Runners presented higher performance variables (height and power, normalized Fmax and PV than volleyball players in both CMJ and SJ. In conclusion, velocity and maximum force were the main determinants of height and power in the two types of vertical jump. However, explosive force (RFD and TFmax was also important for power production in vertical jumps. Finally, runners presented a better vertical jump performance than volleyball players.

  14. Monte Carlo method of macroscopic modulation of small-angle charged particle reflection from solid surfaces

    CERN Document Server

    Bratchenko, M I

    2001-01-01

    A novel method of Monte Carlo simulation of small-angle reflection of charged particles from solid surfaces has been developed. Instead of atomic-scale simulation of particle-surface collisions the method treats the reflection macroscopically as 'condensed history' event. Statistical parameters of reflection are sampled from the theoretical distributions upon energy and angles. An efficient sampling algorithm based on combination of inverse probability distribution function method and rejection method has been proposed and tested. As an example of application the results of statistical modeling of particles flux enhancement near the bottom of vertical Wehner cone are presented and compared with simple geometrical model of specular reflection.

  15. Enhanced luminescence of ZnO:RE{sup 3+} (RE=Eu, Tb) nanorods by Li{sup +} doping and calculations of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Partha P., E-mail: phys.ppal@gmail.com; Manam, J.

    2014-01-15

    Lithium co-doped ZnO:Eu{sup 3+} and ZnO:Tb{sup 3+} nanophosphors were prepared by co-precipitation method and the effect of Li{sup +} co-doping was systematically studied by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), UV-Vis-NIR reflectance, Photoluminescence (PL) spectroscopy and Thermoluminescence (TL) studies. XRD pattern shows typical peak pattern for hexagonal wurtzite structure and matches JCPDS card no. 79-0206. A shift of the (1 0 1) peak towards the lower angle in Li{sup +} co-doped samples can be observed showing the increase of lattice constant for the incorporation of Li{sup +} ions in the lattice sites. The present samples are found to be consisting of nanorods of diameter 60–90 nm as revealed by the SEM image. The FTIR pattern shows the enhancement of peak intensity for the ZnO in the Li{sup +} co-doped samples. The diffuse reflectance study shows red shift of the absorption edges in Li{sup +} co-doped ZnO:Eu{sup 3+} and Li{sup +} co-doped ZnO:Tb{sup 3+}. PL study reveals that a very small amount of Li{sup +} is very effective for charge compensation and for producing lattice defect to enhance the rare-earth related emissions, whereas a little excess of Li{sup +} brings oxygen vacancies, which leads to luminescence quenching. The prominent peaks of the TL glow curves of Li{sup +} co-doped ZnO:RE{sup 3+} samples are found to be increased than that of ordinary ZnO:RE{sup 3+} samples. The peaks are also shifted towards the lower temperature from the peaks of ZnO:RE{sup 3+} due to the Li{sup +} co-doping. The TL glow curves of the Li{sup +} co-doped ZnO:RE{sup 3+} samples are found to obey first order kinetics. The samples are found to be very useful in thermoluminescence dosimetry. -- Highlights: • Effect of Li{sup +} co-doping on ZnO:RE{sup 3+}(RE=Eu,Tb) nanorods were studied. • Formation of nanorods confirmed by SEM and TEM image. • No major change in XRD peak pattern on Li

  16. Fluorescent intercalator displacement replacement (FIDR) assay: determination of relative thermodynamic and kinetic parameters in triplex formation--a case study using triplex-forming LNAs.

    Science.gov (United States)

    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.

  17. 新的单参数动态再结晶动力学建模及晶粒尺寸预测%A NEW ONE-PARAMETER KINETICS MODEL OF DYNAMIC RECRYSTALLIZATION AND GRAIN SIZE PREDICATION

    Institute of Scientific and Technical Information of China (English)

    刘娟; 李居强; 崔振山; 阮立群

    2012-01-01

    通过引入动态再结晶的演化速率,分析了基于Avrami方程的经典动态再结晶动力学模型的不足,提出了一种新的具有单参数的动态再结晶动力学模型,反映了动态再结晶过程缓慢 快速-缓慢的特点.采用Gleeble-1500热模拟试验机,对典型的具有动态再结晶特性的材料镁合金AZ31B进行了热压缩实验,通过进行参数回归得到了其动态再结晶动力学模型,并与实验结果相对比,验证了该模型的正确性.进一步将稳态变形条件下获得的微观组织演化模型改写成分步叠加形式,与动态再结晶晶粒尺寸模型相结合,应用到非稳态条件的晶粒预测,模拟与实验的对比表明计算结果和定量金相法所获得的结果基本一致,说明了非稳态变形过晶粒的叠加预测方法的合理性.%Dynamic recrystallization (DRX) is considered as one of the most important mi-crostructural evolution mechanisms to obtain fine metallurgical structures, eliminate defects and improve mechanical properties of products. Although the DRX kinetics models proposed by researchers have some differences in parameters and forms, they are all based on the Avrami function describing the relationship between dynamically recrystallized volume fraction and strain or time. Avrami equation is in the form of exponential function and the kinetics curve of DRX exhibits different when the exponent is assumed to be different (between 1 and 2). Under these conditions, however, the exponential function cannot exactly describe the "slow-rapid-slow" property of the development speed of DRX process. By introducing the velocity of development of DRX process, which is referred to as the variation of the dynamically recrystallized volume fraction with strain, namely, the first partial derivative of the dynamically recrystallized volume fraction to strain, a new kinetics model of DRX was proposed in comparison with the classical kinetics model of DRX. The new model

  18. The influence of dose on the kinetic parameters and dosimetric features of the main thermoluminescence glow peak in α-Al{sub 2}O{sub 3}:C,Mg

    Energy Technology Data Exchange (ETDEWEB)

    Kalita, J.M.; Chithambo, M.L., E-mail: m.chithambo@ru.ac.za

    2017-03-01

    Highlights: • Influence of dose on thermoluminescence features of α-Al{sub 2}O{sub 3}:C,Mg have been studied. • Kinetic parameters of the main peak are independent of dose (0.1–100 Gy). • Dose response of the main peak: 0.1–30 Gy, superlinear; 30–100 Gy, sublinear. • Fading of the main peak: ∼22% within 2400 s. • Reproducibility: coefficient of variation in the results of 10 re-cycles: >0.071%. - Abstract: The influence of dose (0.1–100 Gy) on the kinetic parameters and the dosimetric features of the main glow peak of α-Al{sub 2}O{sub 3}:C,Mg have been investigated. Thermoluminescence (TL) measured at 1 °C/s shows a very high intensity glow peak at 161 °C and six secondary peaks at 42, 72, 193, 279, 330, 370 °C respectively. Analysis shows that the main peak follows first order kinetics irrespective of the irradiation dose. The activation energy is found to be consistent at 1.37 eV and the frequency factor is of the order of 10{sup 14} s{sup −1} for any dose between 0.1 and 100 Gy. Further, the analysis for thermal quenching of the main peak of 0.1 Gy irradiated sample shows that the activation energy for thermal quenching is (0.94 ± 0.04) eV. Regarding the dosimetric features of α-Al{sub 2}O{sub 3}:C,Mg, the dose response of the main peak is superlinear within 0.1 to 30 Gy of beta dose and then it becomes sublinear up to 100 Gy. Fading analysis shows that the intensity of the main peak drops to ∼22% of its initial value within 2400 s after irradiation and thereafter to ∼14% within 64,800 s. Analysis of the reproducibility shows that the coefficient of variation in the results for 10 identical TL measurements show that reproducibility improves with increase in dose.

  19. Macroscopic Model and Simulation Analysis of Air Traffic Flow in Airport Terminal Area

    Directory of Open Access Journals (Sweden)

    Honghai Zhang

    2014-01-01

    Full Text Available We focus on the spatiotemporal characteristics and their evolvement law of the air traffic flow in airport terminal area to provide scientific basis for optimizing flight control processes and alleviating severe air traffic conditions. Methods in this work combine mathematical derivation and simulation analysis. Based on cell transmission model the macroscopic models of arrival and departure air traffic flow in terminal area are established. Meanwhile, the interrelationship and influential factors of the three characteristic parameters as traffic flux, density, and velocity are presented. Then according to such models, the macro emergence of traffic flow evolution is emulated with the NetLogo simulation platform, and the correlativity of basic traffic flow parameters is deduced and verified by means of sensitivity analysis. The results suggest that there are remarkable relations among the three characteristic parameters of the air traffic flow in terminal area. Moreover, such relationships evolve distinctly with the flight procedures, control separations, and ATC strategies.

  20. Quantum statistical derivation of the macroscopic Maxwell equations

    NARCIS (Netherlands)

    Schram, K.

    1960-01-01

    The macroscopic Maxwell equations in matter are derived on a quantum statistical basis from the microscopic equations for the field operators. Both the density operator formalism and the Wigner distribution function method are discussed. By both methods it can be proved that the quantum statistical

  1. Macroscopic and Microscopic Gradient Structures of Bamboo Culms

    Directory of Open Access Journals (Sweden)

    Suwat SUTNAUN

    2005-01-01

    Full Text Available This work studied the structure of bamboo culms which is naturally designed to retard the bending stress caused by a wind load. A macroscopic gradient structure (diameter, thickness and internodal length and a microscopic one (distribution of fiber of three sympodial bamboo species i.e. Tong bamboo (Dendrocalamus asper Backer., Pah bamboo (Gigantochloa bambos and Pak bamboo (Gigantochloa hasskarliana were examined. From the macroscopic point of view, the wind-load generated bending stress for the tapered hollow tube of bamboo was found to vary uniformly with height, especially at the middle of the culms. Furthermore, the macroscopic shape of bamboo culm is about 2-6 times stiffer in bending mode than one with a solid circular section for the same amount of wood material. Microscopically, the distribution of fiber in the radial direction linearly decreases from the outer surface to the inner surface in the same manner as that of the distribution of the bending stress in the radial direction. Distribution of fiber along the vertical length of bamboos at each height is proportional to the level of bending stress generated by the wind load. Both macroscopic and microscopic gradient structures of sympodial type bamboos were found to be less effective to retard the bending stress than those of monopodial type bamboo.

  2. Microstructure and macroscopic properties of polydisperse systems of hard spheres

    NARCIS (Netherlands)

    Ogarko, Vitaliy Anatolyevich

    2014-01-01

    This dissertation describes an investigation of systems of polydisperse smooth hard spheres. This includes the development of a fast contact detection algorithm for computer modelling, the development of macroscopic constitutive laws that are based on microscopic features such as the moments of the

  3. Photoinduced macroscopic chiral structures in a series of azobenzene copolyesters

    DEFF Research Database (Denmark)

    Nedelchev, L.; Nikolova, L.; Matharu, A.

    2002-01-01

    A study of the propagation of elliptically polarized light and the resulting formation of macroscopic chiral structures in a series of azobenzene side-chain copolyesters, in which the morphology is varied from liquid crystalline to amorphous, is reported. Real-time measurements are presented...

  4. [Macroscopic observations on corneal epithelial wound healing in the rabbit].

    Science.gov (United States)

    Hayashi, K

    1991-02-01

    A newly-developed macroscope was applied to observe the healing process of corneal epithelial wound in vivo. After removing epithelium of the central cornea, the changes of the corneal surface were observed with the macroscope and the findings were compared with histological examinations. At 12 hours after abrasion, areas unstained with Richardson's staining (R staining) appeared. In the histological section, a single layer of regenerating epithelial cells covered the same area. At 24 and 36 hours after abrasion, the epithelial defects became smaller but surrounding epithelium was rough and showed dot-like staining with R solution. By 2 days, the epithelial defects disappeared. On macroscopic observation, the central corneal surface showed a pavement-like appearance. Histology revealed that the regenerating epithelium still consisted of one or two layers. At 3 days, dot-like stainings were present only in the center and the corneal surface appeared considerably smooth. Histology also showed that regenerating epithelium became columnar and multilayered, thereby suggesting stratification. By 7 days, the abraded corneal surface had recovered its smooth appearance. Histologic sections also demonstrated that the epithelium had regained its normal structure. Thus, using this macroscope, findings suggesting the process of epithelial migration and proliferation could be observed.

  5. The black hole information paradox and macroscopic superpositions

    CERN Document Server

    Hsu, Stephen D H

    2010-01-01

    We investigate the experimental capabilities required to test whether black holes destroy information. We show that an experiment capable of illuminating the information puzzle must necessarily be able to detect or manipulate macroscopic superpositions (i.e., Everett branches). Hence, it could also address the fundamental question of decoherence versus wavefunction collapse.

  6. Macroscopic domain formation in the platelet plasma membrane

    DEFF Research Database (Denmark)

    Bali, Rachna; Savino, Laura; Ramirez, Diego A.;

    2009-01-01

    There has been ample debate on whether cell membranes can present macroscopic lipid domains as predicted by three-component phase diagrams obtained by fluorescence microscopy. Several groups have argued that membrane proteins and interactions with the cytoskeleton inhibit the formation of large d...

  7. A Macroscopic Analogue of the Nuclear Pairing Potential

    Science.gov (United States)

    Dunlap, Richard A.

    2013-01-01

    A macroscopic system involving permanent magnets is used as an analogue to nucleons in a nucleus to illustrate the significance of the pairing interaction. This illustrates that the view of the total nuclear energy based only on the nucleon occupancy of the energy levels can yield erroneous results and it is only when the pairing interaction is…

  8. Data requirements for traffic control on a macroscopic level

    NARCIS (Netherlands)

    Knoop, V.L.; Van Lint, J.W.C.; Hoogendoorn, S.P.

    2011-01-01

    With current techniques, traffic monitoring and control is a data intensive process. Network control on a higher level, using high level variables, can make this process less data demanding. The macroscopic fundamental diagram relates accumulation, i.e. the number of vehicles in an area, to the netw

  9. Stereodynamics: From elementary processes to macroscopic chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Kasai, Toshio [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Che, Dock-Chil [Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Tsai, Po-Yu [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Department of Chemistry, National Chung Hsing University, Taichung 402, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Lin, King-Chuen [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Palazzetti, Federico [Scuola Normale Superiore, Pisa (Italy); Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, Vincenzo [Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Roma (Italy); Instituto de Fisica, Universidade Federal da Bahia, Salvador (Brazil)

    2015-12-31

    This paper aims at discussing new facets on stereodynamical behaviors in chemical reactions, i.e. the effects of molecular orientation and alignment on reactive processes. Further topics on macroscopic processes involving deviations from Arrhenius behavior in the temperature dependence of chemical reactions and chirality effects in collisions are also discussed.

  10. Diagnosis of bladder tumours in patients with macroscopic haematuria

    DEFF Research Database (Denmark)

    Gandrup, Karen L; Løgager, Vibeke B; Bretlau, Thomas

    2015-01-01

    OBJECTIVE: The aim of this study was to compare split-bolus computed tomography urography (CTU), magnetic resonance urography (MRU) and flexible cystoscopy in patients with macroscopic haematuria regarding the diagnosis of bladder tumours. MATERIALS AND METHODS: In this prospective study, 150...

  11. Microstructure and macroscopic properties of polydisperse systems of hard spheres

    NARCIS (Netherlands)

    Ogarko, V.

    2014-01-01

    This dissertation describes an investigation of systems of polydisperse smooth hard spheres. This includes the development of a fast contact detection algorithm for computer modelling, the development of macroscopic constitutive laws that are based on microscopic features such as the moments of the

  12. Integrating a macro emission model with a macroscopic traffic model

    NARCIS (Netherlands)

    Klunder, G.A.; Stelwagen, U.; Taale, H.

    2013-01-01

    This paper presents a macro emission module for macroscopic traffic models to be used for assessment of ITS and traffic management. It especially focuses on emission estimates for different intersection types. It provides emission values for CO, CO2, HC, NOx, and PM10. It is applied and validated fo

  13. From 1D to 3D - macroscopic nanowire aerogel monoliths.

    Science.gov (United States)

    Cheng, Wei; Rechberger, Felix; Niederberger, Markus

    2016-08-01

    Here we present a strategy to assemble one-dimensional nanostructures into a three-dimensional architecture with macroscopic size. With the assistance of centrifugation, we successfully gel ultrathin W18O49 nanowires with diameters of 1 to 2 nm and aspect ratios larger than 100 into 3D networks, which are transformed into monolithic aerogels by supercritical drying.

  14. Numerical solutions of a generalized theory for macroscopic capillarity

    NARCIS (Netherlands)

    Doster, F.; Zegeling, P.A.; Hilfer, R.

    2010-01-01

    A recent macroscopic theory of biphasic flow in porous media [R. Hilfer, Phys. Rev. E 73, 016307 (2006)] has proposed to treat microscopically percolating fluid regions differently from microscopically nonpercolating regions. Even in one dimension the theory reduces to an analytically intractable se

  15. The fundamental diagram : a macroscopic traffic flow model.

    NARCIS (Netherlands)

    Botma, H.

    1976-01-01

    In models of traffic flow, the interactions between vehicles are of prime interest, and are based on characteristics of the drivers, road and vehicles. The fundamental diagram is a representation of a relationship on a macroscopic level in the steady state between the quantity of traffic and a chara

  16. Charge accumulation in DC cables: a macroscopic approach

    DEFF Research Database (Denmark)

    McAllister, Iain Wilson; Crichton, George C; Pedersen, Aage

    1994-01-01

    The accumulation of space charge in solid dielectrics is examined from the macroscopic point of view using electromagnetic field theory. For practical dielectrics, it is shown that the occurrence of such charges is an inherent consequence of a non-uniform conductivity. The influence of both tempe...

  17. Intestinal transporters for endogenic and pharmaceutical organic anions: the challenges of deriving in-vitro kinetic parameters for the prediction of clinically relevant drug-drug interactions.

    Science.gov (United States)

    Grandvuinet, Anne Sophie; Vestergaard, Henrik Tang; Rapin, Nicolas; Steffansen, Bente

    2012-11-01

    This review provides an overview of intestinal human transporters for organic anions and stresses the need for standardization of the various in-vitro methods presently employed in drug-drug interaction (DDI) investigations. Current knowledge on the intestinal expression of the apical sodium-dependent bile acid transporter (ASBT), the breast cancer resistance protein (BCRP), the monocarboxylate transporters (MCT) 1, MCT3-5, the multidrug resistance associated proteins (MRP) 1-6, the organic anion transporting polypetides (OATP) 2B1, 1A2, 3A1 and 4A1, and the organic solute transporter α/β (OSTα/β) has been covered along with an overview of their substrates and inhibitors. Furthermore, the many challenges in predicting clinically relevant DDIs from in-vitro studies have been discussed with focus on intestinal transporters and the various methods for deducting in-vitro parameters for transporters (K(m) /K(i) /IC50, efflux ratio). The applicability of using a cut-off value (estimated based on the intestinal drug concentration divided by the K(i) or IC50) has also been considered. A re-evaluation of the current approaches for the prediction of DDIs is necessary when considering the involvement of other transporters than P-glycoprotein. Moreover, the interplay between various processes that a drug is subject to in-vivo such as translocation by several transporters and dissolution should be considered. © 2012 The Authors. JPP © 2012 Royal Pharmaceutical Society.

  18. Studies on the effect of different operational parameters on the crystallization kinetics of α-lactose monohydrate single crystals in aqueous solution

    Science.gov (United States)

    Parimaladevi, P.; Srinivasan, K.

    2014-09-01

    Supersaturation dependent nucleation, size and morphology of alpha-lactose monohydrate (α-LM) crystals from aqueous solution were investigated by adopting two different crystallization methods, slow evaporation and fast evaporation, in the supersaturation range between σ=0.05 and 1.30. The induction period of nucleation is comparatively long in case of slow evaporation and is very short in case of fast evaporation process as the interconversion between α-L and β-L is uncontrollable in the former and is under control in the latter case. Moreover α-LM crystals with tomahawk morphology were obtained throughout the supersaturation range by slow evaporation method whereas crystals with tomahawk, triangular and needle-like morphologies were obtained in supersaturation ranges σ=0.05-0.5, σ=0.5-0.9 and σ=0.9-1.30 respectively by fast evaporation method. Experimentally observed nucleation parameters were verified with theoretically deuced values. It is realized that the fast evaporation method employed in the present study is found to be highly efficient in controlling the interconversion between α-L and β-L as well as in suppressing the inhibitory activity of β molecule on the nucleation and growth of α-LM crystals when compared to conventional slow evaporation method and is successful in producing the industrially preferred needle-like crystals at high supersaturation ranges.

  19. Development of a chemical kinetic model for a biosolids fluidized-bed gasifier and the effects of operating parameters on syngas quality.

    Science.gov (United States)

    Champion, Wyatt M; Cooper, C David; Mackie, Kevin R; Cairney, Paul

    2014-02-01

    In an effort to decrease the land disposal of sewage sludge biosolids and to recover energy, gasification has become a viable option for the treatment of waste biosolids. The process of gasification involves the drying and devolatilization and partial oxidation of biosolids, followed closely by the reduction of the organic gases and char in a single vessel. The products of gasification include a gaseous fuel composed largely of N2, H2O, CO2, CO, H2, CH4, and tars, as well as ash and unburned solid carbon. A mathematical model was developed using published devolatilization, oxidation, and reduction reactions, and calibrated using data from three different experimental studies of laboratory-scale fluidized-bed sewage sludge gasifiers reported in the literature. The model predicts syngas production rate, composition, and temperature as functions of the biosolids composition and feed rate, the air input rate, and gasifier bottom temperature. Several data sets from the three independent literature sources were reserved for model validation, with a focus placed on five species of interest (CO, CO2, H2, CH4, and C6H6). The syngas composition predictions from the model compared well with experimental results from the literature. A sensitivity analysis on the most important operating parameters of a gasifier (bed temperature and equivalence ratio) was performed as well, with the results of the analysis offering insight into the operations of a biosolids gasifier.

  20. Simulation and validation of the ruminal digestion of carbohydrates in cattle from kinetic parameters obtained by in vitro gas production technique

    Directory of Open Access Journals (Sweden)

    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.