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Sample records for model kinetic equations

  1. Kinetic equations for the collisional plasma model

    International Nuclear Information System (INIS)

    Rij, W.I. Van; Meier, H.K.; Beasley, C.O. Jr.; McCune, J.E.

    1977-01-01

    Using the Collisional Plasma Model (CPM) representation, expressions are derived for the Vlasov operator, both in its general form and in the drift-kinetic approximation following the recursive derivation by Hazeltine. The expressions for the operators give easily calculated couplings between neighbouring components of the CPM representation. Expressions for various macroscopic observables in the drift-kinetics approximation are also given. (author)

  2. Modelling opinion formation by means of kinetic equations

    OpenAIRE

    Boudin , Laurent; Salvarani , Francesco

    2010-01-01

    In this chapter, we review some mechanisms of opinion dynamics that can be modelled by kinetic equations. Beside the sociological phenomenon of compromise, naturally linked to collisional operators of Boltzmann kind, many other aspects, already mentioned in the sociophysical literature or no, can enter in this framework. While describing some contributions appeared in the literature, we enlighten some mathematical tools of kinetic theory that can be useful in the context of sociophysics.

  3. Computer models for kinetic equations of magnetically confined plasmas

    International Nuclear Information System (INIS)

    Killeen, J.; Kerbel, G.D.; McCoy, M.G.; Mirin, A.A.; Horowitz, E.J.; Shumaker, D.E.

    1987-01-01

    This paper presents four working computer models developed by the computational physics group of the National Magnetic Fusion Energy Computer Center. All of the models employ a kinetic description of plasma species. Three of the models are collisional, i.e., they include the solution of the Fokker-Planck equation in velocity space. The fourth model is collisionless and treats the plasma ions by a fully three-dimensional particle-in-cell method

  4. Parameter Estimates in Differential Equation Models for Chemical Kinetics

    Science.gov (United States)

    Winkel, Brian

    2011-01-01

    We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data. We estimate the parameters present in several differential equation models of chemical reactions of order n, where n = 0, 1, 2, and apply more general…

  5. Statistical approach to LHCD modeling using the wave kinetic equation

    International Nuclear Information System (INIS)

    Kupfer, K.; Moreau, D.; Litaudon, X.

    1993-04-01

    Recent work has shown that for parameter regimes typical of many present day current drive experiments, the orbits of the launched LH rays are chaotic (in the Hamiltonian sense), so that wave energy diffuses through the stochastic layer and fills the spectral gap. We have analyzed this problem using a statistical approach, by solving the wave kinetic equation for the coarse-grained spectral energy density. An interesting result is that the LH absorption profile is essentially independent of both the total injected power and the level of wave stochastic diffusion

  6. Empiric model for mean generation time adjustment factor for classic point kinetics equations

    Energy Technology Data Exchange (ETDEWEB)

    Goes, David A.B.V. de; Martinez, Aquilino S.; Goncalves, Alessandro da C., E-mail: david.goes@poli.ufrj.br, E-mail: aquilino@lmp.ufrj.br, E-mail: alessandro@con.ufrj.br [Coordenacao de Pos-Graduacao e Pesquisa de Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Departamento de Engenharia Nuclear

    2017-11-01

    Point reactor kinetics equations are the easiest way to observe the neutron production time behavior in a nuclear reactor. These equations are derived from the neutron transport equation using an approximation called Fick's law leading to a set of first order differential equations. The main objective of this study is to review classic point kinetics equation in order to approximate its results to the case when it is considered the time variation of the neutron currents. The computational modeling used for the calculations is based on the finite difference method. The results obtained with this model are compared with the reference model and then it is determined an empirical adjustment factor that modifies the point reactor kinetics equation to the real scenario. (author)

  7. Empiric model for mean generation time adjustment factor for classic point kinetics equations

    International Nuclear Information System (INIS)

    Goes, David A.B.V. de; Martinez, Aquilino S.; Goncalves, Alessandro da C.

    2017-01-01

    Point reactor kinetics equations are the easiest way to observe the neutron production time behavior in a nuclear reactor. These equations are derived from the neutron transport equation using an approximation called Fick's law leading to a set of first order differential equations. The main objective of this study is to review classic point kinetics equation in order to approximate its results to the case when it is considered the time variation of the neutron currents. The computational modeling used for the calculations is based on the finite difference method. The results obtained with this model are compared with the reference model and then it is determined an empirical adjustment factor that modifies the point reactor kinetics equation to the real scenario. (author)

  8. Relations between the kinetic equation and the Langevin models in two-phase flow modelling

    International Nuclear Information System (INIS)

    Minier, J.P.; Pozorski, J.

    1997-05-01

    The purpose of this paper is to discuss PDF and stochastic models which are used in two-phase flow modelling. The aim of the present analysis is essentially to try to determine relations and consistency between different models. It is first recalled that different approaches actually correspond to PDF models written either in terms of the process trajectories or in terms of the PDF itself. The main difference lies in the choice of the independent variables which are retained. Two particular models are studied, the Kinetic Equation and the Langevin Equation model. The latter uses a Langevin equation to model the fluid velocities seen along particle trajectories. The Langevin model is more general since it contains an additional variable. It is shown that, in certain cases, this variable can be summed up exactly to retrieve the Kinetic Equation model as a marginal PDF. A joint fluid and solid particle PDF which includes the characteristics of both phases is proposed at the end of the paper. (author)

  9. Some Aspects of Extended Kinetic Equation

    Directory of Open Access Journals (Sweden)

    Dilip Kumar

    2015-09-01

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

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

    International Nuclear Information System (INIS)

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

    1993-01-01

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

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

    International Nuclear Information System (INIS)

    Latyshev, A.V.

    1993-01-01

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

  12. Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

    International Nuclear Information System (INIS)

    Gelß, Patrick; Matera, Sebastian; Schütte, Christof

    2016-01-01

    In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO 2 (110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

  13. Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

    Science.gov (United States)

    Gelß, Patrick; Matera, Sebastian; Schütte, Christof

    2016-06-01

    In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO2(110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

  14. Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

    Energy Technology Data Exchange (ETDEWEB)

    Gelß, Patrick, E-mail: p.gelss@fu-berlin.de; Matera, Sebastian, E-mail: matera@math.fu-berlin.de; Schütte, Christof, E-mail: schuette@mi.fu-berlin.de

    2016-06-01

    In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO{sub 2}(110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

  15. Equations for the kinetic modeling of supersonically flowing electrically excited lasers

    International Nuclear Information System (INIS)

    Lind, R.C.

    1973-01-01

    The equations for the kinetic modeling of a supersonically flowing electrically excited laser system are presented. The work focuses on the use of diatomic gases, in particular carbon monoxide mixtures. The equations presented include the vibrational rate equation which describes the vibrational population distribution, the electron, ion and electronic level rate equations, the gasdynamic equations for an ionized gas in the presence of an applied electric field, and the free electron Boltzmann equation including flow and gradient coupling terms. The model developed accounts for vibration--vibration collisions, vibration-translation collisions, electron-molecule inelastic excitation and superelastic de-excitation collisions, charge particle collisions, ionization and three body recombination collisions, elastic collisions, and radiative decay, all of which take place in such a system. A simplified form of the free electron Boltzmann equation is developed and discussed with emphasis placed on its coupling with the supersonic flow. A brief description of a possible solution procedure for the set of coupled equations is discussed

  16. Kinetic equation solution by inverse kinetic method

    International Nuclear Information System (INIS)

    Salas, G.

    1983-01-01

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

  17. Intermediate modeling between kinetic equations and hydrodynamic limits: derivation, analysis and simulations

    International Nuclear Information System (INIS)

    Parisot, M.

    2011-01-01

    This work is dedicated study of a problem resulting from plasma physics: the thermal transfer of electrons in a plasma close to equilibrium Maxwellian. Firstly, a dimensional study of the Vlasov-Fokker-Planck-Maxwell system is performed, allowing one hand to identify a physically relevant parameter of scale and also to define mathematically the contours of validity domain. The asymptotic regime called Spitzer-Harm is studied for a relatively general class of collision operator. The following part of this work is devoted to the derivation and study of the hydrodynamic limit of the system of Vlasov-Maxwell-Landau outside the strictly asymptotic. A model proposed by Schurtz and Nicolais located in this context and analyzed. The particularity of this model lies in the application of a delocalization operation in the heat flux. The link with non-local models of Luciani and Mora is established as well as mathematics properties as the principle of maximum and entropy dissipation. Then a formal derivation from the Vlasov equations with a simplified collision operator, is proposed. The derivation, inspired by the recent work of D. Levermore, involves decomposition methods according to the spherical harmonics and methods of closing called diffusion methods. A hierarchy of intermediate models between the kinetic equations and the hydrodynamic limit is described. In particular a new hydrodynamic system integro-differential by nature, is proposed. The Schurtz and Nicolai model appears as a simplification of the system resulting from the derivation, assuming a steady flow of heat. The above results are then generalized to account for the internal energy dependence which appears naturally in the equation establishment. The existence and uniqueness of the solution of the nonstationary system are established in a simplified framework. The last part is devoted was the implementation of a specific numerical scheme to solve these models. We propose a finite volume approach can be

  18. Kinetic equations in dirty superconductors

    International Nuclear Information System (INIS)

    Kraehenbuehl, Y.

    1981-01-01

    Kinetic equations for superconductors in the dirty limit are derived using a method developed for superfluid systems, which allows a systematic expansion in small parameters; exact charge conservation is obeyed. (orig.)

  19. Tracer kinetics: Modelling by partial differential equations of inhomogeneous compartments with age-dependent elimination rates. Pt. 2

    International Nuclear Information System (INIS)

    Winkler, E.

    1991-01-01

    The general theory of inhomogeneous compartments with age-dependent elimination rates is illustrated by examples. Mathematically, it turns out that models consisting of partial differential equations include ordinary, delayed and integro-differential equations, a general fact which is treated here in the context of linear tracer kinetics. The examples include standard compartments as a degenerate case, systems of standard compartments (compartment blocks), models resulting in special residence time distributions, models with pipes, and systems with heterogeneous particles. (orig./BBR) [de

  20. Hybrid dynamic modeling of Escherichia coli central metabolic network combining Michaelis–Menten and approximate kinetic equations

    DEFF Research Database (Denmark)

    Costa, Rafael S.; Machado, Daniel; Rocha, Isabel

    2010-01-01

    , represent nowadays the limiting factor in the construction of such models. In this study, we compare four alternative modeling approaches based on Michaelis–Menten kinetics for the bi-molecular reactions and different types of simplified rate equations for the remaining reactions (generalized mass action......The construction of dynamic metabolic models at reaction network level requires the use of mechanistic enzymatic rate equations that comprise a large number of parameters. The lack of knowledge on these equations and the difficulty in the experimental identification of their associated parameters...

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

    Science.gov (United States)

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

    2014-01-01

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

  2. Gas-kinetic unified algorithm for hypersonic flows covering various flow regimes solving Boltzmann model equation in nonequilibrium effect

    International Nuclear Information System (INIS)

    Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin

    2014-01-01

    Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body

  3. Hypocoercivity for linear kinetic equations conserving mass

    KAUST Repository

    Dolbeault, Jean; Mouhot, Clé ment; Schmeiser, Christian

    2015-01-01

    We develop a new method for proving hypocoercivity for a large class of linear kinetic equations with only one conservation law. Local mass conservation is assumed at the level of the collision kernel, while transport involves a confining potential, so that the solution relaxes towards a unique equilibrium state. Our goal is to evaluate in an appropriately weighted $ L^2$ norm the exponential rate of convergence to the equilibrium. The method covers various models, ranging from diffusive kinetic equations like Vlasov-Fokker-Planck equations, to scattering models or models with time relaxation collision kernels corresponding to polytropic Gibbs equilibria, including the case of the linear Boltzmann model. In this last case and in the case of Vlasov-Fokker-Planck equations, any linear or superlinear growth of the potential is allowed. - See more at: http://www.ams.org/journals/tran/2015-367-06/S0002-9947-2015-06012-7/#sthash.ChjyK6rc.dpuf

  4. Hypocoercivity for linear kinetic equations conserving mass

    KAUST Repository

    Dolbeault, Jean

    2015-02-03

    We develop a new method for proving hypocoercivity for a large class of linear kinetic equations with only one conservation law. Local mass conservation is assumed at the level of the collision kernel, while transport involves a confining potential, so that the solution relaxes towards a unique equilibrium state. Our goal is to evaluate in an appropriately weighted $ L^2$ norm the exponential rate of convergence to the equilibrium. The method covers various models, ranging from diffusive kinetic equations like Vlasov-Fokker-Planck equations, to scattering models or models with time relaxation collision kernels corresponding to polytropic Gibbs equilibria, including the case of the linear Boltzmann model. In this last case and in the case of Vlasov-Fokker-Planck equations, any linear or superlinear growth of the potential is allowed. - See more at: http://www.ams.org/journals/tran/2015-367-06/S0002-9947-2015-06012-7/#sthash.ChjyK6rc.dpuf

  5. Quantum-statistical kinetic equations

    International Nuclear Information System (INIS)

    Loss, D.; Schoeller, H.

    1989-01-01

    Considering a homogeneous normal quantum fluid consisting of identical interacting fermions or bosons, the authors derive an exact quantum-statistical generalized kinetic equation with a collision operator given as explicit cluster series where exchange effects are included through renormalized Liouville operators. This new result is obtained by applying a recently developed superoperator formalism (Liouville operators, cluster expansions, symmetrized projectors, P q -rule, etc.) to nonequilibrium systems described by a density operator ρ(t) which obeys the von Neumann equation. By means of this formalism a factorization theorem is proven (being essential for obtaining closed equations), and partial resummations (leading to renormalized quantities) are performed. As an illustrative application, the quantum-statistical versions (including exchange effects due to Fermi-Dirac or Bose-Einstein statistics) of the homogeneous Boltzmann (binary collisions) and Choh-Uhlenbeck (triple collisions) equations are derived

  6. Tracer kinetics: Modelling by partial differential equations of inhomogeneous compartments with age-dependent elimination rates. Pt. 1

    International Nuclear Information System (INIS)

    Winkler, E.

    1991-01-01

    Mathematical models in tracer kinetics are usually based on ordinary differential equations which correspond to a system of kinetically homogeneous compartments (standard compartments). A generalization is possible by the admission of inhomogeneities in the behaviour of the elements belonging to a compartment. The important special case of the age-dependence of elimination rates is treated in its deterministic version. It leads to partial different equations (i.e., systems with distributed coefficients) with the 'age' or the 'residence time' of an element of the compartment as a variable additional to 'time'. The basic equations for one generalized compartment and for systems of such compartments are given together with their general solutions. (orig.) [de

  7. Kinetic equations with pairing correlations

    International Nuclear Information System (INIS)

    Fauser, R.

    1995-12-01

    The Gorkov equations are derived for a general non-equilibrium system. The Gorkov factorization is generalized by the cumulant expansion of the 2-particle correlation and by a generalized Wick theorem in the case of a perturbation expansion. A stationary solution for the Green functions in the Schwinger-Keldysh formalism is presented taking into account pairing correlations. Especially the effects of collisional broadening on the spectral functions and Green functions is discussed. Kinetic equations are derived in the quasi-particle approximation and in the case of particles with width. Explicit expressions for the self-energies are given. (orig.)

  8. Kinetic Boltzmann, Vlasov and Related Equations

    CERN Document Server

    Sinitsyn, Alexander; Vedenyapin, Victor

    2011-01-01

    Boltzmann and Vlasov equations played a great role in the past and still play an important role in modern natural sciences, technique and even philosophy of science. Classical Boltzmann equation derived in 1872 became a cornerstone for the molecular-kinetic theory, the second law of thermodynamics (increasing entropy) and derivation of the basic hydrodynamic equations. After modifications, the fields and numbers of its applications have increased to include diluted gas, radiation, neutral particles transportation, atmosphere optics and nuclear reactor modelling. Vlasov equation was obtained in

  9. A kinetic equation for irreversible aggregation

    International Nuclear Information System (INIS)

    Zanette, D.H.

    1990-09-01

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

  10. A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chang, E-mail: cliuaa@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sun, Quanhua, E-mail: qsun@imech.ac.cn [State Key Laboratory of High-temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, No. 15 Beisihuan Xi Rd, Beijing 100190 (China); Cai, Qingdong, E-mail: caiqd@mech.pku.edu.cn [Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)

    2016-06-01

    Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region

  11. Rarefied gas flow simulations using high-order gas-kinetic unified algorithms for Boltzmann model equations

    Science.gov (United States)

    Li, Zhi-Hui; Peng, Ao-Ping; Zhang, Han-Xin; Yang, Jaw-Yen

    2015-04-01

    This article reviews rarefied gas flow computations based on nonlinear model Boltzmann equations using deterministic high-order gas-kinetic unified algorithms (GKUA) in phase space. The nonlinear Boltzmann model equations considered include the BGK model, the Shakhov model, the Ellipsoidal Statistical model and the Morse model. Several high-order gas-kinetic unified algorithms, which combine the discrete velocity ordinate method in velocity space and the compact high-order finite-difference schemes in physical space, are developed. The parallel strategies implemented with the accompanying algorithms are of equal importance. Accurate computations of rarefied gas flow problems using various kinetic models over wide ranges of Mach numbers 1.2-20 and Knudsen numbers 0.0001-5 are reported. The effects of different high resolution schemes on the flow resolution under the same discrete velocity ordinate method are studied. A conservative discrete velocity ordinate method to ensure the kinetic compatibility condition is also implemented. The present algorithms are tested for the one-dimensional unsteady shock-tube problems with various Knudsen numbers, the steady normal shock wave structures for different Mach numbers, the two-dimensional flows past a circular cylinder and a NACA 0012 airfoil to verify the present methodology and to simulate gas transport phenomena covering various flow regimes. Illustrations of large scale parallel computations of three-dimensional hypersonic rarefied flows over the reusable sphere-cone satellite and the re-entry spacecraft using almost the largest computer systems available in China are also reported. The present computed results are compared with the theoretical prediction from gas dynamics, related DSMC results, slip N-S solutions and experimental data, and good agreement can be found. The numerical experience indicates that although the direct model Boltzmann equation solver in phase space can be computationally expensive

  12. Master equation for a kinetic model of a trading market and its analytic solution.

    Science.gov (United States)

    Chatterjee, Arnab; Chakrabarti, Bikas K; Stinchcombe, Robin B

    2005-08-01

    We analyze an ideal-gas-like model of a trading market with quenched random saving factors for its agents and show that the steady state income (m) distribution P(m) in the model has a power law tail with Pareto index nu exactly equal to unity, confirming the earlier numerical studies on this model. The analysis starts with the development of a master equation for the time development of P(m) . Precise solutions are then obtained in some special cases.

  13. The analysis of the derivation principles of kinetic equations based on exactly solvable models of the bulk reaction A + B → Product

    International Nuclear Information System (INIS)

    Kipriyanov, A.A.; Doktorov, A.B.

    2005-01-01

    We have considered two many-particle models of the irreversible reaction A + B → Product for which closed kinetic equations for the mean concentration N A (t) of A species can be exactly obtained. These equations are identically recast into a unified form of integro-differential equation of general kinetic theory. It is shown that the memory functions for both models under consideration can be represented as a sum of the Markovian and non-Markovian parts. It is essential that the Markovian part of the Laplace transform of any kernel can be obtained using the Laplace transform of the kernel itself, and is the root of the non-Markovian part of the Laplace transform of the kernel. The properties established allowed us to perform correct approximation of the memory functions at small concentrations [B] of B species and derive the binary non-Markovian integro-differential equation. Within the binary theory accuracy this equation has been rewritten in a regular frame of a familiar rate equation satisfying general principles of binary kinetic equations. Thus using particular exactly solvable many-particle models, we have reproduced the most essential steps of the known general way for the derivation of the binary kinetic equation avoiding the sophisticated many-particle technique and the corresponding approximations. Besides, the results obtained can serve as an additional evidence of the approximations made in a general many-particle approach to the derivation of the binary kinetic equation

  14. Separation-induced boundary layer transition: Modeling with a non-linear eddy-viscosity model coupled with the laminar kinetic energy equation

    International Nuclear Information System (INIS)

    Vlahostergios, Z.; Yakinthos, K.; Goulas, A.

    2009-01-01

    We present an effort to model the separation-induced transition on a flat plate with a semi-circular leading edge, using a cubic non-linear eddy-viscosity model combined with the laminar kinetic energy. A non-linear model, compared to a linear one, has the advantage to resolve the anisotropic behavior of the Reynolds-stresses in the near-wall region and it provides a more accurate expression for the generation of turbulence in the transport equation of the turbulence kinetic energy. Although in its original formulation the model is not able to accurately predict the separation-induced transition, the inclusion of the laminar kinetic energy increases its accuracy. The adoption of the laminar kinetic energy by the non-linear model is presented in detail, together with some additional modifications required for the adaption of the laminar kinetic energy into the basic concepts of the non-linear eddy-viscosity model. The computational results using the proposed combined model are shown together with the ones obtained using an isotropic linear eddy-viscosity model, which adopts also the laminar kinetic energy concept and in comparison with the existing experimental data.

  15. Receptor binding kinetics equations: Derivation using the Laplace transform method.

    Science.gov (United States)

    Hoare, Sam R J

    Measuring unlabeled ligand receptor binding kinetics is valuable in optimizing and understanding drug action. Unfortunately, deriving equations for estimating kinetic parameters is challenging because it involves calculus; integration can be a frustrating barrier to the pharmacologist seeking to measure simple rate parameters. Here, a well-known tool for simplifying the derivation, the Laplace transform, is applied to models of receptor-ligand interaction. The method transforms differential equations to a form in which simple algebra can be applied to solve for the variable of interest, for example the concentration of ligand-bound receptor. The goal is to provide instruction using familiar examples, to enable investigators familiar with handling equilibrium binding equations to derive kinetic equations for receptor-ligand interaction. First, the Laplace transform is used to derive the equations for association and dissociation of labeled ligand binding. Next, its use for unlabeled ligand kinetic equations is exemplified by a full derivation of the kinetics of competitive binding equation. Finally, new unlabeled ligand equations are derived using the Laplace transform. These equations incorporate a pre-incubation step with unlabeled or labeled ligand. Four equations for measuring unlabeled ligand kinetics were compared and the two new equations verified by comparison with numerical solution. Importantly, the equations have not been verified with experimental data because no such experiments are evident in the literature. Equations were formatted for use in the curve-fitting program GraphPad Prism 6.0 and fitted to simulated data. This description of the Laplace transform method will enable pharmacologists to derive kinetic equations for their model or experimental paradigm under study. Application of the transform will expand the set of equations available for the pharmacologist to measure unlabeled ligand binding kinetics, and for other time

  16. A novel fractional technique for the modified point kinetics equations

    Directory of Open Access Journals (Sweden)

    Ahmed E. Aboanber

    2016-10-01

    Full Text Available A fractional model for the modified point kinetics equations is derived and analyzed. An analytical method is used to solve the fractional model for the modified point kinetics equations. This methodical technique is based on the representation of the neutron density as a power series of the relaxation time as a small parameter. The validity of the fractional model is tested for different cases of step, ramp and sinusoidal reactivity. The results show that the fractional model for the modified point kinetics equations is the best representation of neutron density for subcritical and supercritical reactors.

  17. Reduced kinetic equations: An influence functional approach

    International Nuclear Information System (INIS)

    Wio, H.S.

    1985-01-01

    The author discusses a scheme for obtaining reduced descriptions of multivariate kinetic equations based on the 'influence functional' method of Feynmann. It is applied to the case of Fokker-Planck equations showing the form that results for the reduced equation. The possibility of Markovian or non-Markovian reduced description is discussed. As a particular example, the reduction of the Kramers equation to the Smoluchwski equation in the limit of high friction is also discussed

  18. Point kinetics modeling

    International Nuclear Information System (INIS)

    Kimpland, R.H.

    1996-01-01

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

  19. Fractional Bhatnagar-Gross-Krook kinetic equation

    Science.gov (United States)

    Goychuk, Igor

    2017-11-01

    The linear Boltzmann equation (LBE) approach is generalized to describe fractional superdiffusive transport of the Lévy walk type in external force fields. The time distribution between scattering events is assumed to have a finite mean value and infinite variance. It is completely characterized by the two scattering rates, one fractional and a normal one, which defines also the mean scattering rate. We formulate a general fractional LBE approach and exemplify it with a particularly simple case of the Bohm and Gross scattering integral leading to a fractional generalization of the Bhatnagar, Gross and Krook (BGK) kinetic equation. Here, at each scattering event the particle velocity is completely randomized and takes a value from equilibrium Maxwell distribution at a given fixed temperature. We show that the retardation effects are indispensable even in the limit of infinite mean scattering rate and argue that this novel fractional kinetic equation provides a viable alternative to the fractional Kramers-Fokker-Planck (KFP) equation by Barkai and Silbey and its generalization by Friedrich et al. based on the picture of divergent mean time between scattering events. The case of divergent mean time is also discussed at length and compared with the earlier results obtained within the fractional KFP. Also a phenomenological fractional BGK equation without retardation effects is proposed in the limit of infinite scattering rates. It cannot be, however, rigorously derived from a scattering model, being rather clever postulated. It this respect, this retardationless equation is similar to the fractional KFP by Barkai and Silbey. However, it corresponds to the opposite, much more physical limit and, therefore, also presents a viable alternative.

  20. On the comparison of numerical methods for the integration of kinetic equations in atmospheric chemistry and transport models

    Science.gov (United States)

    Saylor, Rick D.; Ford, Gregory D.

    The integration of systems of ordinary differential equations (ODEs) that arise in atmospheric photochemistry is of significant concern to tropospheric and stratospheric chemistry modelers. As a consequence of the stiff nature of these ODE systems, their solution requires a large fraction of the total computational effort in three-dimensional chemical model simulations. Several integration techniques have been proposed and utilized over the years in an attempt to provide computationally efficient, yet accurate, solutions to chemical kinetics ODES. In this work, we present a comparison of some of these techniques and argue that valid comparisons of ODE solvers must take into account the trade-off between solution accuracy and computational efficiency. Misleading comparison results can be obtained by neglecting the fact that any ODE solution method can be made faster or slower by manipulation of the appropriate error tolerances or time steps. Comparisons among ODE solution techniques should therefore attempt to identify which technique can provide the most accurate solution with the least computational effort over the entire range of behavior of each technique. We present here a procedure by which ODE solver comparisons can achieve this goal. Using this methodology, we compare a variety of integration techniques, including methods proposed by Hesstvedt et al. (1978, Int. J. Chem. Kinet.10, 971-994), Gong and Cho (1993, Atmospheric Environment27A, 2147-2160), Young and Boris (1977, J. phys. Chem.81, 2424-2427) and Hindmarsh (1983, In Scientific Computing (edited by Stepleman R. S. et al.), pp. 55-64. North-Holland, Amsterdam). We find that Gear-type solvers such as the Livermore Solver for ordinary differential equations (LSODE) and the sparse-matrix version of LSODE (LSODES) provide the most accurate solution of our test problems with the least computational effort.

  1. Drift-free kinetic equations for turbulent dispersion

    Science.gov (United States)

    Bragg, A.; Swailes, D. C.; Skartlien, R.

    2012-11-01

    The dispersion of passive scalars and inertial particles in a turbulent flow can be described in terms of probability density functions (PDFs) defining the statistical distribution of relevant scalar or particle variables. The construction of transport equations governing the evolution of such PDFs has been the subject of numerous studies, and various authors have presented formulations for this type of equation, usually referred to as a kinetic equation. In the literature it is often stated, and widely assumed, that these PDF kinetic equation formulations are equivalent. In this paper it is shown that this is not the case, and the significance of differences among the various forms is considered. In particular, consideration is given to which form of equation is most appropriate for modeling dispersion in inhomogeneous turbulence and most consistent with the underlying particle equation of motion. In this regard the PDF equations for inertial particles are considered in the limit of zero particle Stokes number and assessed against the fully mixed (zero-drift) condition for fluid points. A long-standing question regarding the validity of kinetic equations in the fluid-point limit is answered; it is demonstrated formally that one version of the kinetic equation (derived using the Furutsu-Novikov method) provides a model that satisfies this zero-drift condition exactly in both homogeneous and inhomogeneous systems. In contrast, other forms of the kinetic equation do not satisfy this limit or apply only in a limited regime.

  2. Kinetic equation of heterogeneous catalytic isotope exchange

    Energy Technology Data Exchange (ETDEWEB)

    Trokhimets, A I [AN Belorusskoj SSR, Minsk. Inst. Fiziko-Organicheskoj Khimii

    1979-12-01

    A kinetic equation is derived for the bimolecular isotope exchange reaction between AXsub(n)sup(*) and BXsub(m)sup(o), all atoms of element X in each molecule being equivalent. The equation can be generalized for homogeneous and heterogeneous catalytic isotope exchange.

  3. Verification of a three-dimensional neutronics model based on multi-point kinetics equations for transient problems

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kyung Seok; Kim, Hyun Dae; Yeom, Choong Sub [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1995-07-01

    A computer code for solving the three-dimensional reactor neutronic transient problems utilizing multi-point reactor kinetics equations recently developed has been developed. For evaluating its applicability, the code has been tested with typical 3-D LWR and CANDU reactor transient problems. The performance of the method and code has been compared with the results by fine and coarse meshes computer codes employing the direct methods.

  4. Linearized gyro-kinetic equation

    International Nuclear Information System (INIS)

    Catto, P.J.; Tsang, K.T.

    1976-01-01

    An ordering of the linearized Fokker-Planck equation is performed in which gyroradius corrections are retained to lowest order and the radial dependence appropriate for sheared magnetic fields is treated without resorting to a WKB technique. This description is shown to be necessary to obtain the proper radial dependence when the product of the poloidal wavenumber and the gyroradius is large (k rho much greater than 1). A like particle collision operator valid for arbitrary k rho also has been derived. In addition, neoclassical, drift, finite β (plasma pressure/magnetic pressure), and unperturbed toroidal electric field modifications are treated

  5. Monte Carlo steps per spin vs. time in the master equation II: Glauber kinetics for the infinite-range ising model in a static magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Oh, Suhk Kun [Chungbuk National University, Chungbuk (Korea, Republic of)

    2006-01-15

    As an extension of our previous work on the relationship between time in Monte Carlo simulation and time in the continuous master equation in the infinit-range Glauber kinetic Ising model in the absence of any magnetic field, we explored the same model in the presence of a static magnetic field. Monte Carlo steps per spin as time in the MC simulations again turns out to be proportional to time in the master equation for the model in relatively larger static magnetic fields at any temperature. At and near the critical point in a relatively smaller magnetic field, the model exhibits a significant finite-size dependence, and the solution to the Suzuki-Kubo differential equation stemming from the master equation needs to be re-scaled to fit the Monte Carlo steps per spin for the system with different numbers of spins.

  6. The Balescu kinetic equation with exchange interaction

    International Nuclear Information System (INIS)

    Belyi, V V; Kukharenko, Yu A

    2009-01-01

    Starting with the quantum BBGKY hierarchy for the distribution functions, we have obtained the quantum kinetic equation including the dynamical screening of the interaction potential, which exactly takes into account the exchange scattering in the plasma. The collision integral is expressed in terms of the Green function of the linearized Hartree–Fock equation. The potential energy takes into account the polarization and exchange interaction too

  7. A 3D nodal mixed dual method for nuclear reactor kinetics with improved quasistatic model and a semi-implicit scheme to solve the precursor equations

    International Nuclear Information System (INIS)

    Dahmani, M.; Baudron, A.M.; Lautard, J.J.; Erradi, L.

    2001-01-01

    The mixed dual nodal method MINOS is used to solve the reactor kinetics equations with improved quasistatic IQS model and the θ method is used to solve the precursor equations. The speed of calculation which is the main advantage of the MINOS method and the possibility to use the large time step for shape flux calculation permitted by the IQS method, allow us to reduce considerably the computing time. The IQS/MINOS method is implemented in CRONOS 3D reactor code. Numerical tests on different transient benchmarks show that the results obtained with the IQS/MINOS method and the direct numerical method used to solve the kinetics equations, are very close and the total computing time is largely reduced

  8. Hamiltonian formalism of two-dimensional Vlasov kinetic equation.

    Science.gov (United States)

    Pavlov, Maxim V

    2014-12-08

    In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.

  9. Stoichiometric network analysis and associated dimensionless kinetic equations. Application to a model of the Bray-Liebhafsky reaction.

    Science.gov (United States)

    Schmitz, Guy; Kolar-Anić, Ljiljana Z; Anić, Slobodan R; Cupić, Zeljko D

    2008-12-25

    The stoichiometric network analysis (SNA) introduced by B. L. Clarke is applied to a simplified model of the complex oscillating Bray-Liebhafsky reaction under batch conditions, which was not examined by this method earlier. This powerful method for the analysis of steady-states stability is also used to transform the classical differential equations into dimensionless equations. This transformation is easy and leads to a form of the equations combining the advantages of classical dimensionless equations with the advantages of the SNA. The used dimensionless parameters have orders of magnitude given by the experimental information about concentrations and currents. This simplifies greatly the study of the slow manifold and shows which parameters are essential for controlling its shape and consequently have an important influence on the trajectories. The effectiveness of these equations is illustrated on two examples: the study of the bifurcations points and a simple sensitivity analysis, different from the classical one, more based on the chemistry of the studied system.

  10. Quantum kinetic Ising models

    International Nuclear Information System (INIS)

    Augusiak, R; Cucchietti, F M; Lewenstein, M; Haake, F

    2010-01-01

    In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.

  11. Fractional neutron point kinetics equations for nuclear reactor dynamics

    International Nuclear Information System (INIS)

    Espinosa-Paredes, Gilberto; Polo-Labarrios, Marco-A.; Espinosa-Martinez, Erick-G.; Valle-Gallegos, Edmundo del

    2011-01-01

    The fractional point-neutron kinetics model for the dynamic behavior in a nuclear reactor is derived and analyzed in this paper. The fractional model retains the main dynamic characteristics of the neutron motion in which the relaxation time associated with a rapid variation in the neutron flux contains a fractional order, acting as exponent of the relaxation time, to obtain the best representation of a nuclear reactor dynamics. The physical interpretation of the fractional order is related with non-Fickian effects from the neutron diffusion equation point of view. The numerical approximation to the solution of the fractional neutron point kinetics model, which can be represented as a multi-term high-order linear fractional differential equation, is calculated by reducing the problem to a system of ordinary and fractional differential equations. The numerical stability of the fractional scheme is investigated in this work. Results for neutron dynamic behavior for both positive and negative reactivity and for different values of fractional order are shown and compared with the classic neutron point kinetic equations. Additionally, a related review with the neutron point kinetics equations is presented, which encompasses papers written in English about this research topic (as well as some books and technical reports) published since 1940 up to 2010.

  12. Reflected‑Point‑Reactor Kinetics Model for Neutron Coincidence Counting: Comments on the Equation for the Leakage Self‑Multiplication

    International Nuclear Information System (INIS)

    Croft, S.; McElroy, RD.; Favalli, A.; Hauck, D.; Henzlova, D.; Henzl, V.; Santi, PA.

    2015-01-01

    Passive neutron correlation counting is widely used, for example by international inspection agencies, for the non‑destructive assay of spontaneously fissile nuclear materials for nuclear safeguards. The mass of special nuclear material present in an item is usually estimated from the observed neutron counting rates by using equations based on mathematically describing the object as an isolated multiplying point‑like source. Calibration using representative physical standards can often adequately compensate for this theoretical oversimplification through the introduction and use of effective‑interpretational‑model‑parameters meaning that useful assay results are obtained. In this work we extend the point‑model treatment by including a simple reflector around the fissioning material. Specifically we show how the leakage self‑multiplication equation mathematically connects the traditional bare source and the reflected source cases. In doing so we explicitly demonstrate that although the presence of a simple reflector changes the leakage self‑multiplication the traditional bare‑item point model multiplicity equations retain the same mathematical form. Making and explaining this connection is important because it helps to explain and justify the practical success and use of the traditional point‑model equations even when the assumptions used to generate the key functional dependences are violated. We are not aware that this point has been recognized previously.

  13. GENERAL EQUATIONS OF CARBONIZATION OF EUCALYPTUS SPP KINETIC MECHANISMS

    Directory of Open Access Journals (Sweden)

    Túlio Jardim Raad

    2006-06-01

    Full Text Available In the present work, a set of general equations related to kinetic mechanism of wood compound carbonization: hemicelluloses, cellulose and lignin was obtained by Avrami-Eroffev and Arrhenius equations and Thermogravimetry of Eucalyptus cloeziana, Eucalyptus camaldulensis, Corymbia citriodora, Eucalyptus urophylla and Eucalyptus grandis samples, TG-Isothermal and TG-Dynamic. The different thermal stabilities and decomposition temperature bands of those species compounds were applied as strategy to obtain the kinetic parameters: activation energy, exponential factor and reaction order. The kinetic model developed was validated by thermogravimetric curves from carbonization of others biomass such as coconut. The kinetic parameters found were - Hemicelluloses: E=98,6 kJmol, A=3,5x106s-1 n=1,0; - Cellulose: E=182,2 kJmol, A=1,2x1013s-1 n=1,5; - Lignin: E=46,6 kJmol, A=2,01s-1 n=0,41. The set of equations can be implemented in a mathematical model of wood carbonization simulation (with heat and mass transfer equations with the aim of optimizing the control and charcoal process used to produce pig iron.

  14. Metamaterial characterization using Boltzmann's kinetic equation for electrons

    DEFF Research Database (Denmark)

    Novitsky, Andrey; Zhukovsky, Sergei; Novitsky, D.

    2013-01-01

    Statistical properties of electrons in metals are taken into consideration to describe the microscopic motion of electrons. Assuming degenerate electron gas in metal, we introduce the Boltzmann kinetic equation to supplement Maxwell's equations. The solution of these equations clearly shows...

  15. Development and analysis of prognostic equations for mesoscale kinetic energy and mesoscale (subgrid scale) fluxes for large-scale atmospheric models

    Science.gov (United States)

    Avissar, Roni; Chen, Fei

    1993-01-01

    Generated by landscape discontinuities (e.g., sea breezes) mesoscale circulation processes are not represented in large-scale atmospheric models (e.g., general circulation models), which have an inappropiate grid-scale resolution. With the assumption that atmospheric variables can be separated into large scale, mesoscale, and turbulent scale, a set of prognostic equations applicable in large-scale atmospheric models for momentum, temperature, moisture, and any other gaseous or aerosol material, which includes both mesoscale and turbulent fluxes is developed. Prognostic equations are also developed for these mesoscale fluxes, which indicate a closure problem and, therefore, require a parameterization. For this purpose, the mean mesoscale kinetic energy (MKE) per unit of mass is used, defined as E-tilde = 0.5 (the mean value of u'(sub i exp 2), where u'(sub i) represents the three Cartesian components of a mesoscale circulation (the angle bracket symbol is the grid-scale, horizontal averaging operator in the large-scale model, and a tilde indicates a corresponding large-scale mean value). A prognostic equation is developed for E-tilde, and an analysis of the different terms of this equation indicates that the mesoscale vertical heat flux, the mesoscale pressure correlation, and the interaction between turbulence and mesoscale perturbations are the major terms that affect the time tendency of E-tilde. A-state-of-the-art mesoscale atmospheric model is used to investigate the relationship between MKE, landscape discontinuities (as characterized by the spatial distribution of heat fluxes at the earth's surface), and mesoscale sensible and latent heat fluxes in the atmosphere. MKE is compared with turbulence kinetic energy to illustrate the importance of mesoscale processes as compared to turbulent processes. This analysis emphasizes the potential use of MKE to bridge between landscape discontinuities and mesoscale fluxes and, therefore, to parameterize mesoscale fluxes

  16. Kinetic equation for spin-polarized plasmas

    International Nuclear Information System (INIS)

    Cowley, S.C.; Kulsrud, R.M.; Valeo, E.

    1984-07-01

    The usual kinetic description of a plasma is extended to include variables to describe the spin. The distribution function, over phase-space and the new spin variables, provides a sufficient description of a spin-polarized plasma. The evolution equation for the distribution function is given. The equations derived are used to calculate depolarization due to four processes, inhomogeneous fields, collisions, collisions in inhomogeneous fields, and waves. It is found that depolarization by field inhomogeneity on scales large compared with the gyroradius is totally negligible. The same is true for collisional depolarization. Collisions in inhomogeneous fields yield a depolarization rate of order 10 -4 S -1 for deuterons and a negligible rate for tritons in a typical fusion reactor design. This is still sufficiently small on reactor time scales. However, small amplitude magnetic fluctuations (of order one gauss) resonant with the spin precession frequency can lead to significant depolarization (depolarises triton in ten seconds and deuteron in a hundred seconds.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-07-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  19. Initial value problem for the equations of reactor kinetics

    International Nuclear Information System (INIS)

    Kyncl, J.

    1987-08-01

    The initial value problem for the equations of reactor kinetics is solved while taking temperature feedback into account. The space where the problem is solved is chosen such as to correspond to the mathematical properties of cross-section models. The local solution is found by the iterative method, its uniqueness is proved and it is also shown that the existence of global solution is ensured in most cases. Finally, the problem of a weak solution is discussed. (author). 5 refs

  20. Kinetic theory of flocking: derivation of hydrodynamic equations.

    Science.gov (United States)

    Ihle, Thomas

    2011-03-01

    It is shown how to explicitly coarse-grain the microscopic dynamics of the rule-based Vicsek model for self-propelled agents. The hydrodynamic equations are derived by means of an Enskog-type kinetic theory. Expressions for all transport coefficients are given. The transition from a disordered to a flocking state, which at large particle speeds appears to be a fluctuation-induced first-order phase transition, is studied numerically and analytically.

  1. Non-Abelian plasmons and their kinetics equation

    International Nuclear Information System (INIS)

    Zheng Xiaoping; Li Jiarong

    1998-01-01

    After the fluctuated modes in QGP are treated as plasmons, the kinetics equation for the plasmons in linear approximation is established starting from Yang-Mills fields equation. The kinetics equation can be considered as the balance equation for the number of plasmons, which indicates the balance of the number variation (growth or damping) in space and time because of their motion with velocities that equal to the wave's group velocity and the emission or absorption of plasmons by plasma particles

  2. A consistent hierarchy of generalized kinetic equation approximations to the master equation applied to surface catalysis.

    Science.gov (United States)

    Herschlag, Gregory J; Mitran, Sorin; Lin, Guang

    2015-06-21

    We develop a hierarchy of approximations to the master equation for systems that exhibit translational invariance and finite-range spatial correlation. Each approximation within the hierarchy is a set of ordinary differential equations that considers spatial correlations of varying lattice distance; the assumption is that the full system will have finite spatial correlations and thus the behavior of the models within the hierarchy will approach that of the full system. We provide evidence of this convergence in the context of one- and two-dimensional numerical examples. Lower levels within the hierarchy that consider shorter spatial correlations are shown to be up to three orders of magnitude faster than traditional kinetic Monte Carlo methods (KMC) for one-dimensional systems, while predicting similar system dynamics and steady states as KMC methods. We then test the hierarchy on a two-dimensional model for the oxidation of CO on RuO2(110), showing that low-order truncations of the hierarchy efficiently capture the essential system dynamics. By considering sequences of models in the hierarchy that account for longer spatial correlations, successive model predictions may be used to establish empirical approximation of error estimates. The hierarchy may be thought of as a class of generalized phenomenological kinetic models since each element of the hierarchy approximates the master equation and the lowest level in the hierarchy is identical to a simple existing phenomenological kinetic models.

  3. Turbulent kinetic energy equation and free mixing

    Science.gov (United States)

    Morel, T.; Torda, T. P.; Bradshaw, P.

    1973-01-01

    Calculation of free shear flows was carried out to investigate the usefulness of several concepts which were previously successfully applied to wall flows. The method belongs to the class of differential approaches. The turbulence is taken into account by the introduction of one additional partial differential equation, the transport equation for the turbulent shear stress. The structure of turbulence is modeled after Bradshaw et al. This model was used successfully in boundary layers and its applicability to other flows is demonstrated. The work reported differs substantially from that of an earlier attempt to use this approach for calculation of free flows. The most important difference is that the region around the center line is treated by invoking the interaction hypothesis (concerning the structure of turbulence in the regions separated by the velocity extrema). The compressibility effects on shear layer spreading at low and moderate Mach numbers were investigated. In the absence of detailed experiments in free flows, the evidence from boundary layers that at low Mach numbers the structure of turbulence is unaffected by the compressibility was relied on. The present model was tested over a range of self-preserving and developing flows including pressure gradients using identical empirical input. The dependence of the structure of turbulence on the spreading rate of the shear layer was established.

  4. On kinetic Boltzmann equations and related hydrodynamic flows with dry viscosity

    Directory of Open Access Journals (Sweden)

    Nikolai N. Bogoliubov (Jr.

    2007-01-01

    Full Text Available A two-component particle model of Boltzmann-Vlasov type kinetic equations in the form of special nonlinear integro-differential hydrodynamic systems on an infinite-dimensional functional manifold is discussed. We show that such systems are naturally connected with the nonlinear kinetic Boltzmann-Vlasov equations for some one-dimensional particle flows with pointwise interaction potential between particles. A new type of hydrodynamic two-component Benney equations is constructed and their Hamiltonian structure is analyzed.

  5. Effective computation of stochastic protein kinetic equation by reducing stiffness via variable transformation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lijin, E-mail: ljwang@ucas.ac.cn [School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing 100049 (China)

    2016-06-08

    The stochastic protein kinetic equations can be stiff for certain parameters, which makes their numerical simulation rely on very small time step sizes, resulting in large computational cost and accumulated round-off errors. For such situation, we provide a method of reducing stiffness of the stochastic protein kinetic equation by means of a kind of variable transformation. Theoretical and numerical analysis show effectiveness of this method. Its generalization to a more general class of stochastic differential equation models is also discussed.

  6. Model Compaction Equation

    African Journals Online (AJOL)

    The currently proposed model compaction equation was derived from data sourced from the. Niger Delta and it relates porosity to depth for sandstones under hydrostatic pressure condition. The equation is useful in predicting porosity and compaction trend in hydrostatic sands of the. Niger Delta. GEOLOGICAL SETTING OF ...

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

    Directory of Open Access Journals (Sweden)

    Singh Sudhansu S.

    2015-01-01

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

  8. Development of kinetics equations from the Boltzmann equation; Etablissement des equations de la cinetique a partir de l'equation de Boltzmann

    Energy Technology Data Exchange (ETDEWEB)

    Plas, R.

    1962-07-01

    The author reports a study on kinetics equations for a reactor. He uses the conventional form of these equations but by using a dynamic multiplication factor. Thus, constants related to delayed neutrons are not modified by efficiency factors. The author first describes the theoretic kinetic operation of a reactor and develops the associated equations. He reports the development of equations for multiplication factors.

  9. Kinetic Model of Growth of Arthropoda Populations

    Science.gov (United States)

    Ershov, Yu. A.; Kuznetsov, M. A.

    2018-05-01

    Kinetic equations were derived for calculating the growth of crustacean populations ( Crustacea) based on the biological growth model suggested earlier using shrimp ( Caridea) populations as an example. The development cycle of successive stages for populations can be represented in the form of quasi-chemical equations. The kinetic equations that describe the development cycle of crustaceans allow quantitative prediction of the development of populations depending on conditions. In contrast to extrapolation-simulation models, in the developed kinetic model of biological growth the kinetic parameters are the experimental characteristics of population growth. Verification and parametric identification of the developed model on the basis of the experimental data showed agreement with experiment within the error of the measurement technique.

  10. Fractional Diffusion Limit for Collisional Kinetic Equations

    KAUST Repository

    Mellet, Antoine

    2010-08-20

    This paper is devoted to diffusion limits of linear Boltzmann equations. When the equilibrium distribution function is a Maxwellian distribution, it is well known that for an appropriate time scale, the small mean free path limit gives rise to a diffusion equation. In this paper, we consider situations in which the equilibrium distribution function is a heavy-tailed distribution with infinite variance. We then show that for an appropriate time scale, the small mean free path limit gives rise to a fractional diffusion equation. © 2010 Springer-Verlag.

  11. Fractional Diffusion Limit for Collisional Kinetic Equations

    KAUST Repository

    Mellet, Antoine; Mischler, Sté phane; Mouhot, Clé ment

    2010-01-01

    This paper is devoted to diffusion limits of linear Boltzmann equations. When the equilibrium distribution function is a Maxwellian distribution, it is well known that for an appropriate time scale, the small mean free path limit gives rise to a

  12. Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions - Part 1: General equations, parameters, and terminology

    Science.gov (United States)

    Pöschl, U.; Rudich, Y.; Ammann, M.

    2007-12-01

    Aerosols and clouds play central roles in atmospheric chemistry and physics, climate, air pollution, and public health. The mechanistic understanding and predictability of aerosol and cloud properties, interactions, transformations, and effects are, however, still very limited. This is due not only to the limited availability of measurement data, but also to the limited applicability and compatibility of model formalisms used for the analysis, interpretation, and description of heterogeneous and multiphase processes. To support the investigation and elucidation of atmospheric aerosol and cloud surface chemistry and gas-particle interactions, we present a comprehensive kinetic model framework with consistent and unambiguous terminology and universally applicable rate equations and parameters. It enables a detailed description of mass transport and chemical reactions at the gas-particle interface, and it allows linking aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer); straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined and consistent rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients); clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion, surface and bulk accommodation); clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms); mechanistic description of concentration and time dependences (transient and steady-state conditions); flexible addition of unlimited numbers of chemical species and physicochemical processes; optional aggregation or resolution

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  14. Uncertainty quantification for hyperbolic and kinetic equations

    CERN Document Server

    Pareschi, Lorenzo

    2017-01-01

    This book explores recent advances in uncertainty quantification for hyperbolic, kinetic, and related problems. The contributions address a range of different aspects, including: polynomial chaos expansions, perturbation methods, multi-level Monte Carlo methods, importance sampling, and moment methods. The interest in these topics is rapidly growing, as their applications have now expanded to many areas in engineering, physics, biology and the social sciences. Accordingly, the book provides the scientific community with a topical overview of the latest research efforts.

  15. Oxidative desulfurization: kinetic modelling.

    Science.gov (United States)

    Dhir, S; Uppaluri, R; Purkait, M K

    2009-01-30

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.

  16. Oxidative desulfurization: Kinetic modelling

    International Nuclear Information System (INIS)

    Dhir, S.; Uppaluri, R.; Purkait, M.K.

    2009-01-01

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel

  17. Structural Equation Model Trees

    Science.gov (United States)

    Brandmaier, Andreas M.; von Oertzen, Timo; McArdle, John J.; Lindenberger, Ulman

    2013-01-01

    In the behavioral and social sciences, structural equation models (SEMs) have become widely accepted as a modeling tool for the relation between latent and observed variables. SEMs can be seen as a unification of several multivariate analysis techniques. SEM Trees combine the strengths of SEMs and the decision tree paradigm by building tree…

  18. Hydrodynamic limits of kinetic equations for polyatomic and reactive gases

    Directory of Open Access Journals (Sweden)

    Bisi M.

    2017-03-01

    Full Text Available Starting from a kinetic BGK-model for a rarefied polyatomic gas, based on a molecular structure of discrete internal energy levels, an asymptotic Chapman-Enskog procedure is developed in the asymptotic continuum limit in order to derive consistent fluid-dynamic equations for macroscopic fields at Navier-Stokes level. In this way, the model allows to treat the gas as a mixture of mono-atomic species. Explicit expressions are given not only for dynamical pressure, but also for shear stress, diffusion velocities, and heat flux. The analysis is shown to deal properly also with a mixture of reactive gases, endowed for simplicity with translational degrees of freedom only, in which frame analogous results can be achieved.

  19. Modeling chemical kinetics graphically

    NARCIS (Netherlands)

    Heck, A.

    2012-01-01

    In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could

  20. Introduction to Kinetic Model Equations

    Science.gov (United States)

    2011-01-01

    application . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 ∗Dipartimento di Matematica del Politecnico di Milano Piazza Leonardo da Vinci 32...NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Dipartimento di Matematica del Politecnico di Milano Piazza Leonardo da Vinci 32, 20133 Milano

  1. Mathematical Kinetic Modelling and Representing Design Equation for a Packed Photoreactor with Immobilised TiO2-P25 Nanoparticles on Glass Beads in the Removal of C.I. Acid Orange 7

    Directory of Open Access Journals (Sweden)

    Sheidaei Behnaz

    2015-06-01

    Full Text Available In this work, a design equation was presented for a batch-recirculated photoreactor composed of a packed bed reactor (PBR with immobilised TiO2-P25 nanoparticle thin films on glass beads, and a continuous-flow stirred tank (CFST. The photoreactor was studied in order to remove C.I. Acid Orange 7 (AO7, a monoazo anionic dye from textile industry, by means of UV/TiO2 process. The effect of different operational parameters such as the initial concentration of contaminant, the volume of solution in CFST, the volumetric flow rate of liquid, and the power of light source in the removal efficiency were examined. A rate equation for the removal of AO7 is obtained by mathematical kinetic modelling. The results of reaction kinetic analysis indicate the conformity of removal kinetics with Langmuir-Hinshelwood model (kL-H = 0.74 mg L-1 min-1, Kads = 0.081 mg-1 L. The represented design equation obtained from mathematical kinetic modelling can properly predict the removal rate constant of the contaminant under different operational conditions (R2 = 0.963. Thus the calculated and experimental results are in good agreement with each other.

  2. Semiempirical equations for modeling solid-state kinetics based on a Maxwell-Boltzmann distribution of activation energies: applications to a polymorphic transformation under crystallization slurry conditions and to the thermal decomposition of AgMnO4 crystals.

    Science.gov (United States)

    Skrdla, Peter J; Robertson, Rebecca T

    2005-06-02

    Many solid-state reactions and phase transformations performed under isothermal conditions give rise to asymmetric, sigmoidally shaped conversion-time (x-t) profiles. The mathematical treatment of such curves, as well as their physical interpretation, is often challenging. In this work, the functional form of a Maxwell-Boltzmann (M-B) distribution is used to describe the distribution of activation energies for the reagent solids, which, when coupled with an integrated first-order rate expression, yields a novel semiempirical equation that may offer better success in the modeling of solid-state kinetics. In this approach, the Arrhenius equation is used to relate the distribution of activation energies to a corresponding distribution of rate constants for the individual molecules in the reagent solids. This distribution of molecular rate constants is then correlated to the (observable) reaction time in the derivation of the model equation. In addition to providing a versatile treatment for asymmetric, sigmoidal reaction curves, another key advantage of our equation over other models is that the start time of conversion is uniquely defined at t = 0. We demonstrate the ability of our simple, two-parameter equation to successfully model the experimental x-t data for the polymorphic transformation of a pharmaceutical compound under crystallization slurry (i.e., heterogeneous) conditions. Additionally, we use a modification of this equation to model the kinetics of a historically significant, homogeneous solid-state reaction: the thermal decomposition of AgMnO4 crystals. The potential broad applicability of our statistical (i.e., dispersive) kinetic approach makes it a potentially attractive alternative to existing models/approaches.

  3. A nondissipative simulation method for the drift kinetic equation

    International Nuclear Information System (INIS)

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

    2001-07-01

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

  4. LLNL Chemical Kinetics Modeling Group

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  5. Kinetic equations for an unstable plasma; Equations cinetiques d'un plasma instable

    Energy Technology Data Exchange (ETDEWEB)

    Laval, G; Pellat, R [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1968-07-01

    In this work, we establish the plasma kinetic equations starting from the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy of equations. We demonstrate that relations existing between correlation functions may help to justify the truncation of the hierarchy. Then we obtain the kinetic equations of a stable or unstable plasma. They do not reduce to an equation for the one-body distribution function, but generally involve two coupled equations for the one-body distribution function and the spectral density of the fluctuating electric field. We study limiting cases where the Balescu-Lenard equation, the quasi-linear theory, the Pines-Schrieffer equations and the equations of weak turbulence in the random phase approximation are recovered. At last we generalise the H-theorem for the system of equations and we define conditions for irreversible behaviour. (authors) [French] Dans ce travail nous etablissons les equations cinetiques d'un plasma a partir des equations de la recurrence de Bogoliubov, Born, Green, Kirkwood et Yvon. Nous demontrons qu'entre les fonctions de correlation d'un plasma existent des relations qui permettent de justifier la troncature de la recurrence. Nous obtenons alors les equations cinetiques d'un plasma stable ou instable. En general elles ne se reduisent pas a une equation d'evolution pour la densite simple, mais se composent de deux equations couplees portant sur la densite simple et la densite spectrale du champ electrique fluctuant. Nous etudions le cas limites ou l'on retrouve l'equation de Balescu-Lenard, les equations de la theorie quasi-lineaire, les equations de Pines et Schrieffer et les equations de la turbulence faible dans l'approximation des phases aleatoires. Enfin, nous generalisons le theoreme H pour ce systeme d'equations et nous precisons les conditions d'evolution irreversible. (auteurs)

  6. A nonlinear bounce kinetic equation for trapped electrons

    International Nuclear Information System (INIS)

    Gang, F.Y.

    1990-03-01

    A nonlinear bounce averaged drift kinetic equation for trapped electrons is derived. This equation enables one to compute the nonlinear response of the trapped electron distribution function in terms of the field-line projection of a potential fluctuation left-angle e -inqθ φ n right-angle b . It is useful for both analytical and computational studies of the nonlinear evolution of short wavelength (n much-gt 1) trapped electron mode-driven turbulence. 7 refs

  7. A stochastic model of enzyme kinetics

    Science.gov (United States)

    Stefanini, Marianne; Newman, Timothy; McKane, Alan

    2003-10-01

    Enzyme kinetics is generally modeled by deterministic rate equations, and in the simplest case leads to the well-known Michaelis-Menten equation. It is plausible that stochastic effects will play an important role at low enzyme concentrations. We have addressed this by constructing a simple stochastic model which can be exactly solved in the steady-state. Throughout a wide range of parameter values Michaelis-Menten dynamics is replaced by a new and simple theoretical result.

  8. Modeling in applied sciences a kinetic theory approach

    CERN Document Server

    Pulvirenti, Mario

    2000-01-01

    Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process Topics and Features * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinet...

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

    International Nuclear Information System (INIS)

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

    1993-09-01

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

  10. Study of the stochastic point reactor kinetic equation

    International Nuclear Information System (INIS)

    Gotoh, Yorio

    1980-01-01

    Diagrammatic technique is used to solve the stochastic point reactor kinetic equation. The method gives exact results which are derived from Fokker-Plank theory. A Green's function dressed with the clouds of noise is defined, which is a transfer function of point reactor with fluctuating reactivity. An integral equation for the correlation function of neutron power is derived using the following assumptions: 1) Green's funntion should be dressed with noise, 2) The ladder type diagrams only contributes to the correlation function. For a white noise and the one delayed neutron group approximation, the norm of the integral equation and the variance to mean-squared ratio are analytically obtained. (author)

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

    International Nuclear Information System (INIS)

    Saha Ray, S.; Patra, A.

    2012-01-01

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

  12. Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways.

    Science.gov (United States)

    Bai, Shirong; Skodje, Rex T

    2017-08-17

    A new approach is presented for simulating the time-evolution of chemically reactive systems. This method provides an alternative to conventional modeling of mass-action kinetics that involves solving differential equations for the species concentrations. The method presented here avoids the need to solve the rate equations by switching to a representation based on chemical pathways. In the Sum Over Histories Representation (or SOHR) method, any time-dependent kinetic observable, such as concentration, is written as a linear combination of probabilities for chemical pathways leading to a desired outcome. In this work, an iterative method is introduced that allows the time-dependent pathway probabilities to be generated from a knowledge of the elementary rate coefficients, thus avoiding the pitfalls involved in solving the differential equations of kinetics. The method is successfully applied to the model Lotka-Volterra system and to a realistic H 2 combustion model.

  13. Taylor's series method for solving the nonlinear point kinetics equations

    International Nuclear Information System (INIS)

    Nahla, Abdallah A.

    2011-01-01

    Highlights: → Taylor's series method for nonlinear point kinetics equations is applied. → The general order of derivatives are derived for this system. → Stability of Taylor's series method is studied. → Taylor's series method is A-stable for negative reactivity. → Taylor's series method is an accurate computational technique. - Abstract: Taylor's series method for solving the point reactor kinetics equations with multi-group of delayed neutrons in the presence of Newtonian temperature feedback reactivity is applied and programmed by FORTRAN. This system is the couples of the stiff nonlinear ordinary differential equations. This numerical method is based on the different order derivatives of the neutron density, the precursor concentrations of i-group of delayed neutrons and the reactivity. The r th order of derivatives are derived. The stability of Taylor's series method is discussed. Three sets of applications: step, ramp and temperature feedback reactivities are computed. Taylor's series method is an accurate computational technique and stable for negative step, negative ramp and temperature feedback reactivities. This method is useful than the traditional methods for solving the nonlinear point kinetics equations.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-01

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

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

    International Nuclear Information System (INIS)

    Hernandez S, A.

    2003-01-01

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

  17. A tool model for predicting atmospheric kinetics with sensitivity analysis

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A package( a tool model) for program of predicting atmospheric chemical kinetics with sensitivity analysis is presented. The new direct method of calculating the first order sensitivity coefficients using sparse matrix technology to chemical kinetics is included in the tool model, it is only necessary to triangularize the matrix related to the Jacobian matrix of the model equation. The Gear type procedure is used to integrate amodel equation and its coupled auxiliary sensitivity coefficient equations. The FORTRAN subroutines of the model equation, the sensitivity coefficient equations, and their Jacobian analytical expressions are generated automatically from a chemical mechanism. The kinetic representation for the model equation and its sensitivity coefficient equations, and their Jacobian matrix is presented. Various FORTRAN subroutines in packages, such as SLODE, modified MA28, Gear package, with which the program runs in conjunction are recommended.The photo-oxidation of dimethyl disulfide is used for illustration.

  18. Different seeds to solve the equations of stochastic point kinetics using the Euler-Maruyama method

    International Nuclear Information System (INIS)

    Suescun D, D.; Oviedo T, M.

    2017-09-01

    In this paper, a numerical study of stochastic differential equations that describe the kinetics in a nuclear reactor is presented. These equations, known as the stochastic equations of punctual kinetics they model temporal variations in neutron population density and concentrations of deferred neutron precursors. Because these equations are probabilistic in nature (since random oscillations in the neutrons and population of precursors were considered to be approximately normally distributed, and these equations also possess strong coupling and stiffness properties) the proposed method for the numerical simulations is the Euler-Maruyama scheme that provides very good approximations for calculating the neutron population and concentrations of deferred neutron precursors. The method proposed for this work was computationally tested for different seeds, initial conditions, experimental data and forms of reactivity for a group of precursors and then for six groups of deferred neutron precursors at each time step with 5000 Brownian movements per seed. In a paper reported in the literature, the Euler-Maruyama method was proposed, but there are many doubts about the reported values, in addition to not reporting the seed used, so in this work is expected to rectify the reported values. After taking the average of the different seeds used to generate the pseudo-random numbers the results provided by the Euler-Maruyama scheme will be compared in mean and standard deviation with other methods reported in the literature and results of the deterministic model of the equations of the punctual kinetics. This comparison confirms in particular that the Euler-Maruyama scheme is an efficient method to solve the equations of stochastic point kinetics but different from the values found and reported by another author. The Euler-Maruyama method is simple and easy to implement, provides acceptable results for neutron population density and concentration of deferred neutron precursors and

  19. Time discretization of the point kinetic equations using matrix exponential method and First-Order Hold

    International Nuclear Information System (INIS)

    Park, Yujin; Kazantzis, Nikolaos; Parlos, Alexander G.; Chong, Kil To

    2013-01-01

    Highlights: • Numerical solution for stiff differential equations using matrix exponential method. • The approximation is based on First Order Hold assumption. • Various input examples applied to the point kinetics equations. • The method shows superior useful and effective activity. - Abstract: A system of nonlinear differential equations is derived to model the dynamics of neutron density and the delayed neutron precursors within a point kinetics equation modeling framework for a nuclear reactor. The point kinetic equations are mathematically characterized as stiff, occasionally nonlinear, ordinary differential equations, posing significant challenges when numerical solutions are sought and traditionally resulting in the need for smaller time step intervals within various computational schemes. In light of the above realization, the present paper proposes a new discretization method inspired by system-theoretic notions and technically based on a combination of the matrix exponential method (MEM) and the First-Order Hold (FOH) assumption. Under the proposed time discretization structure, the sampled-data representation of the nonlinear point kinetic system of equations is derived. The performance of the proposed time discretization procedure is evaluated using several case studies with sinusoidal reactivity profiles and multiple input examples (reactivity and neutron source function). It is shown, that by applying the proposed method under a First-Order Hold for the neutron density and the precursor concentrations at each time step interval, the stiffness problem associated with the point kinetic equations can be adequately addressed and resolved. Finally, as evidenced by the aforementioned detailed simulation studies, the proposed method retains its validity and accuracy for a wide range of reactor operating conditions, including large sampling periods dictated by physical and/or technical limitations associated with the current state of sensor and

  20. Verification of continuum drift kinetic equation solvers in NIMROD

    Energy Technology Data Exchange (ETDEWEB)

    Held, E. D.; Ji, J.-Y. [Utah State University, Logan, Utah 84322-4415 (United States); Kruger, S. E. [Tech-X Corporation, Boulder, Colorado 80303 (United States); Belli, E. A. [General Atomics, San Diego, California 92186-5608 (United States); Lyons, B. C. [Program in Plasma Physics, Princeton University, Princeton, New Jersey 08543-0451 (United States)

    2015-03-15

    Verification of continuum solutions to the electron and ion drift kinetic equations (DKEs) in NIMROD [C. R. Sovinec et al., J. Comp. Phys. 195, 355 (2004)] is demonstrated through comparison with several neoclassical transport codes, most notably NEO [E. A. Belli and J. Candy, Plasma Phys. Controlled Fusion 54, 015015 (2012)]. The DKE solutions use NIMROD's spatial representation, 2D finite-elements in the poloidal plane and a 1D Fourier expansion in toroidal angle. For 2D velocity space, a novel 1D expansion in finite elements is applied for the pitch angle dependence and a collocation grid is used for the normalized speed coordinate. The full, linearized Coulomb collision operator is kept and shown to be important for obtaining quantitative results. Bootstrap currents, parallel ion flows, and radial particle and heat fluxes show quantitative agreement between NIMROD and NEO for a variety of tokamak equilibria. In addition, velocity space distribution function contours for ions and electrons show nearly identical detailed structure and agree quantitatively. A Θ-centered, implicit time discretization and a block-preconditioned, iterative linear algebra solver provide efficient electron and ion DKE solutions that ultimately will be used to obtain closures for NIMROD's evolving fluid model.

  1. Numerical simulation of stochastic point kinetic equation in the dynamical system of nuclear reactor

    International Nuclear Information System (INIS)

    Saha Ray, S.

    2012-01-01

    Highlights: ► In this paper stochastic neutron point kinetic equations have been analyzed. ► Euler–Maruyama method and Strong Taylor 1.5 order method have been discussed. ► These methods are applied for the solution of stochastic point kinetic equations. ► Comparison between the results of these methods and others are presented in tables. ► Graphs for neutron and precursor sample paths are also presented. -- Abstract: In the present paper, the numerical approximation methods, applied to efficiently calculate the solution for stochastic point kinetic equations () in nuclear reactor dynamics, are investigated. A system of Itô stochastic differential equations has been analyzed to model the neutron density and the delayed neutron precursors in a point nuclear reactor. The resulting system of Itô stochastic differential equations are solved over each time-step size. The methods are verified by considering different initial conditions, experimental data and over constant reactivities. The computational results indicate that the methods are simple and suitable for solving stochastic point kinetic equations. In this article, a numerical investigation is made in order to observe the random oscillations in neutron and precursor population dynamics in subcritical and critical reactors.

  2. Beyond the Cahn-Hilliard equation: a vacancy-based kinetic theory

    International Nuclear Information System (INIS)

    Nastar, M.

    2011-01-01

    A Self-Consistent Mean Field (SCMF) kinetic theory including an explicit description of the vacancy diffusion mechanism is developed. The present theory goes beyond the usual local equilibrium hypothesis. It is applied to the study of the early time spinodal decomposition in alloys. The resulting analytical expression of the structure function highlights the contribution of the vacancy diffusion mechanism. Instead of the single amplification rate of the Cahn-Hillard linear theory, the linearized SCMF kinetic equations involve three constant rates, first one describing the vacancy relaxation kinetics, second one related to the kinetic coupling between local concentrations and pair correlations and the third one representing the spinodal amplification rate. Starting from the same vacancy diffusion model, we perform kinetic Monte Carlo simulations of a Body Centered Cubic (BCC) demixting alloy. The resulting spherically averaged structure function is compared to the SCMF predictions. Both qualitative and quantitative agreements are satisfying. (authors)

  3. Kinetics of intravenous radiographic contrast medium injections as used on CT: simulation with time delay differential equations in a basic human cardiovascular multicompartment model.

    Science.gov (United States)

    Violon, D

    2012-12-01

    To develop a multicompartment model of only essential human body components that predicts the contrast medium concentration vs time curve in a chosen compartment after an intravenous injection. Also to show that the model can be used to time adequately contrast-enhanced CT series. A system of linked time delay instead of ordinary differential equations described the model and was solved with a Matlab program (Matlab v. 6.5; The Mathworks, Inc., Natick, MA). All the injection and physiological parameters were modified to cope with normal or pathological situations. In vivo time-concentration curves from the literature were recalculated to validate the model. The recalculated contrast medium time-concentration curves and parameters are given. The results of the statistical analysis of the study findings are expressed as the median prediction error and the median absolute prediction error values for both the time delay and ordinary differential equation systems; these are situated well below the generally accepted maximum 20% limit. The presented program correctly predicts the time-concentration curve of an intravenous contrast medium injection and, consequently, allows an individually tailored approach of CT examinations with optimised use of the injected contrast medium volume, as long as time delay instead of ordinary differential equations are used. The presented program offers good preliminary knowledge of the time-contrast medium concentration curve after any intravenous injection, allowing adequate timing of a CT examination, required by the short scan time of present-day scanners. The injected volume of contrast medium can be tailored to the individual patient with no more contrast medium than is strictly needed.

  4. Quasi-linear landau kinetic equations for magnetized plasmas: compact propagator formalism, rotation matrices and interaction

    International Nuclear Information System (INIS)

    Misguich, J.H.

    2004-04-01

    As a first step toward a nonlinear renormalized description of turbulence phenomena in magnetized plasmas, the lowest order quasi-linear description is presented here from a unified point of view for collisionless as well as for collisional plasmas in a constant magnetic field. The quasi-linear approximation is applied to a general kinetic equation obtained previously from the Klimontovich exact equation, by means of a generalised Dupree-Weinstock method. The so-obtained quasi-linear description of electromagnetic turbulence in a magnetoplasma is applied to three separate physical cases: -) weak electrostatic turbulence, -) purely magnetic field fluctuations (the classical quasi-linear results are obtained for cosmic ray diffusion in the 'slab model' of magnetostatic turbulence in the solar wind), and -) collisional kinetic equations of magnetized plasmas. This mathematical technique has allowed us to derive basic kinetic equations for turbulent plasmas and collisional plasmas, respectively in the quasi-linear and Landau approximation. In presence of a magnetic field we have shown that the systematic use of rotation matrices describing the helical particle motion allows for a much more compact derivation than usually performed. Moreover, from the formal analogy between turbulent and collisional plasmas, the results derived here in detail for the turbulent plasmas, can be immediately translated to obtain explicit results for the Landau kinetic equation

  5. Quasi-linear landau kinetic equations for magnetized plasmas: compact propagator formalism, rotation matrices and interaction

    Energy Technology Data Exchange (ETDEWEB)

    Misguich, J.H

    2004-04-01

    As a first step toward a nonlinear renormalized description of turbulence phenomena in magnetized plasmas, the lowest order quasi-linear description is presented here from a unified point of view for collisionless as well as for collisional plasmas in a constant magnetic field. The quasi-linear approximation is applied to a general kinetic equation obtained previously from the Klimontovich exact equation, by means of a generalised Dupree-Weinstock method. The so-obtained quasi-linear description of electromagnetic turbulence in a magnetoplasma is applied to three separate physical cases: -) weak electrostatic turbulence, -) purely magnetic field fluctuations (the classical quasi-linear results are obtained for cosmic ray diffusion in the 'slab model' of magnetostatic turbulence in the solar wind), and -) collisional kinetic equations of magnetized plasmas. This mathematical technique has allowed us to derive basic kinetic equations for turbulent plasmas and collisional plasmas, respectively in the quasi-linear and Landau approximation. In presence of a magnetic field we have shown that the systematic use of rotation matrices describing the helical particle motion allows for a much more compact derivation than usually performed. Moreover, from the formal analogy between turbulent and collisional plasmas, the results derived here in detail for the turbulent plasmas, can be immediately translated to obtain explicit results for the Landau kinetic equation.

  6. Is the kinetic equation for turbulent gas-particle flows ill posed?

    Science.gov (United States)

    Reeks, M; Swailes, D C; Bragg, A D

    2018-02-01

    This paper is about the kinetic equation for gas-particle flows, in particular its well-posedness and realizability and its relationship to the generalized Langevin model (GLM) probability density function (PDF) equation. Previous analyses, e.g. [J.-P. Minier and C. Profeta, Phys. Rev. E 92, 053020 (2015)PLEEE81539-375510.1103/PhysRevE.92.053020], have concluded that this kinetic equation is ill posed, that in particular it has the properties of a backward heat equation, and as a consequence, its solution will in the course of time exhibit finite-time singularities. We show that this conclusion is fundamentally flawed because it ignores the coupling between the phase space variables in the kinetic equation and the time and particle inertia dependence of the phase space diffusion tensor. This contributes an extra positive diffusion that always outweighs the negative diffusion associated with the dispersion along one of the principal axes of the phase space diffusion tensor. This is confirmed by a numerical evaluation of analytic solutions of these positive and negative contributions to the particle diffusion coefficient along this principal axis. We also examine other erroneous claims and assumptions made in previous studies that demonstrate the apparent superiority of the GLM PDF approach over the kinetic approach. In so doing, we have drawn attention to the limitations of the GLM approach, which these studies have ignored or not properly considered, to give a more balanced appraisal of the benefits of both PDF approaches.

  7. Nonequilibrium Statistical Operator Method and Generalized Kinetic Equations

    Science.gov (United States)

    Kuzemsky, A. L.

    2018-01-01

    We consider some principal problems of nonequilibrium statistical thermodynamics in the framework of the Zubarev nonequilibrium statistical operator approach. We present a brief comparative analysis of some approaches to describing irreversible processes based on the concept of nonequilibrium Gibbs ensembles and their applicability to describing nonequilibrium processes. We discuss the derivation of generalized kinetic equations for a system in a heat bath. We obtain and analyze a damped Schrödinger-type equation for a dynamical system in a heat bath. We study the dynamical behavior of a particle in a medium taking the dissipation effects into account. We consider the scattering problem for neutrons in a nonequilibrium medium and derive a generalized Van Hove formula. We show that the nonequilibrium statistical operator method is an effective, convenient tool for describing irreversible processes in condensed matter.

  8. Non-equilibrium reaction rates in chemical kinetic equations

    Science.gov (United States)

    Gorbachev, Yuriy

    2018-05-01

    Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

  9. Kinetic models of cell growth, substrate utilization and bio ...

    African Journals Online (AJOL)

    Bio-decolorization kinetic studies of distillery effluent in a batch culture were conducted using Aspergillus fumigatus. A simple model was proposed using the Logistic Equation for the growth, Leudeking-Piret kinetics for bio-decolorization, and also for substrate utilization. The proposed models appeared to provide a suitable ...

  10. Modeling the degradation kinetics of ascorbic acid.

    Science.gov (United States)

    Peleg, Micha; Normand, Mark D; Dixon, William R; Goulette, Timothy R

    2018-06-13

    Most published reports on ascorbic acid (AA) degradation during food storage and heat preservation suggest that it follows first-order kinetics. Deviations from this pattern include Weibullian decay, and exponential drop approaching finite nonzero retention. Almost invariably, the degradation rate constant's temperature-dependence followed the Arrhenius equation, and hence the simpler exponential model too. A formula and freely downloadable interactive Wolfram Demonstration to convert the Arrhenius model's energy of activation, E a , to the exponential model's c parameter, or vice versa, are provided. The AA's isothermal and non-isothermal degradation can be simulated with freely downloadable interactive Wolfram Demonstrations in which the model's parameters can be entered and modified by moving sliders on the screen. Where the degradation is known a priori to follow first or other fixed order kinetics, one can use the endpoints method, and in principle the successive points method too, to estimate the reaction's kinetic parameters from considerably fewer AA concentration determinations than in the traditional manner. Freeware to do the calculations by either method has been recently made available on the Internet. Once obtained in this way, the kinetic parameters can be used to reconstruct the entire degradation curves and predict those at different temperature profiles, isothermal or dynamic. Comparison of the predicted concentration ratios with experimental ones offers a way to validate or refute the kinetic model and the assumptions on which it is based.

  11. An equation of state for purely kinetic k-essence inspired by cosmic topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Cordero, Ruben; Gonzalez, Eduardo L.; Queijeiro, Alfonso [Instituto Politecnico Nacional, Departamento de Fisica, Escuela Superior de Fisica y Matematicas, Ciudad de Mexico (Mexico)

    2017-06-15

    We investigate the physical properties of a purely kinetic k-essence model with an equation of state motivated in superconducting membranes. We compute the equation of state parameter w and discuss its physical evolution via a nonlinear equation of state. Using the adiabatic speed of sound and energy density, we restrict the range of parameters of the model in order to have an acceptable physical behavior. We study the evolution of the scale factor and address the question of the possible existence of finite-time future singularities. Furthermore, we analyze the evolution of the luminosity distance d{sub L} with redshift z by comparing (normalizing) it with the ΛCDM model. Since the equation of state parameter is z-dependent the evolution of the luminosity distance is also analyzed using the Alcock-Paczynski test. (orig.)

  12. Kinetics of subdiffusion-assisted reactions: non-Markovian stochastic Liouville equation approach

    International Nuclear Information System (INIS)

    Shushin, A I

    2005-01-01

    Anomalous specific features of the kinetics of subdiffusion-assisted bimolecular reactions (time-dependence, dependence on parameters of systems, etc) are analysed in detail with the use of the non-Markovian stochastic Liouville equation (SLE), which has been recently derived within the continuous-time random-walk (CTRW) approach. In the CTRW approach, subdiffusive motion of particles is modelled by jumps whose onset probability distribution function is of a long-tailed form. The non-Markovian SLE allows for rigorous describing of some peculiarities of these reactions; for example, very slow long-time behaviour of the kinetics, non-analytical dependence of the reaction rate on the reactivity of particles, strong manifestation of fluctuation kinetics showing itself in very slowly decreasing behaviour of the kinetics at very long times, etc

  13. A balance principle approach for modeling phase transformation kinetics

    International Nuclear Information System (INIS)

    Lusk, M.; Krauss, G.; Jou, H.J.

    1995-01-01

    A balance principle is offered to model volume fraction kinetics of phase transformation kinetics at a continuum level. This microbalance provides a differential equation for transformation kinetics which is coupled to the differential equations governing the mechanical and thermal aspects of the process. Application here is restricted to diffusive transformations for the sake of clarity, although the principle is discussed for martensitic phase transitions as well. Avrami-type kinetics are shown to result from a special class of energy functions. An illustrative example using a 0.5% C Chromium steel demonstrates how TTT and CCT curves can be generated using a particularly simple effective energy function. (orig.)

  14. Balance of liquid-phase turbulence kinetic energy equation for bubble-train flow

    International Nuclear Information System (INIS)

    Ilic, Milica; Woerner, Martin; Cacuci, Dan Gabriel

    2004-01-01

    In this paper the investigation of bubble-induced turbulence using direct numerical simulation (DNS) of bubbly two-phase flow is reported. DNS computations are performed for a bubble-driven liquid motion induced by a regular train of ellipsoidal bubbles rising through an initially stagnant liquid within a plane vertical channel. DNS data are used to evaluate balance terms in the balance equation for the liquid phase turbulence kinetic energy. The evaluation comprises single-phase-like terms (diffusion, dissipation and production) as well as the interfacial term. Special emphasis is placed on the procedure for evaluation of interfacial quantities. Quantitative analysis of the balance equation for the liquid phase turbulence kinetic energy shows the importance of the interfacial term which is the only source term. The DNS results are further used to validate closure assumptions employed in modelling of the liquid phase turbulence kinetic energy transport in gas-liquid bubbly flows. In this context, the performance of respective closure relations in the transport equation for liquid turbulence kinetic energy within the two-phase k-ε and the two-phase k-l model is evaluated. (author)

  15. Crystallization Kinetics within a Generic Modelling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist

    2013-01-01

    An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....

  16. Modified Gompertz equation for electrotherapy murine tumor growth kinetics: predictions and new hypotheses

    International Nuclear Information System (INIS)

    Cabrales, Luis E Bergues; Mateus, Miguel A O'Farril; Brooks, Soraida C Acosta; Palencia, Fabiola Suárez; Zamora, Lisset Ortiz; Quevedo, María C Céspedes; Seringe, Sarah Edward; Cuitié, Vladimir Crombet; Cabrales, Idelisa Bergues; González, Gustavo Sierra; Nava, Juan J Godina; Aguilera, Andrés Ramírez; Joa, Javier A González; Ciria, Héctor M Camué; González, Maraelys Morales; Salas, Miriam Fariñas; Jarque, Manuel Verdecia; González, Tamara Rubio

    2010-01-01

    Electrotherapy effectiveness at different doses has been demonstrated in preclinical and clinical studies; however, several aspects that occur in the tumor growth kinetics before and after treatment have not yet been revealed. Mathematical modeling is a useful instrument that can reveal some of these aspects. The aim of this paper is to describe the complete growth kinetics of unperturbed and perturbed tumors through use of the modified Gompertz equation in order to generate useful insight into the mechanisms that underpin this devastating disease. The complete tumor growth kinetics for control and treated groups are obtained by interpolation and extrapolation methods with different time steps, using experimental data of fibrosarcoma Sa-37. In the modified Gompertz equation, a delay time is introduced to describe the tumor's natural history before treatment. Different graphical strategies are used in order to reveal new information in the complete kinetics of this tumor type. The first stage of complete tumor growth kinetics is highly non linear. The model, at this stage, shows different aspects that agree with those reported theoretically and experimentally. Tumor reversibility and the proportionality between regions before and after electrotherapy are demonstrated. In tumors that reach partial remission, two antagonistic post-treatment processes are induced, whereas in complete remission, two unknown antitumor mechanisms are induced. The modified Gompertz equation is likely to lead to insights within cancer research. Such insights hold promise for increasing our understanding of tumors as self-organizing systems and, the possible existence of phase transitions in tumor growth kinetics, which, in turn, may have significant impacts both on cancer research and on clinical practice

  17. Differential equation methods for simulation of GFP kinetics in non-steady state experiments.

    Science.gov (United States)

    Phair, Robert D

    2018-03-15

    Genetically encoded fluorescent proteins, combined with fluorescence microscopy, are widely used in cell biology to collect kinetic data on intracellular trafficking. Methods for extraction of quantitative information from these data are based on the mathematics of diffusion and tracer kinetics. Current methods, although useful and powerful, depend on the assumption that the cellular system being studied is in a steady state, that is, the assumption that all the molecular concentrations and fluxes are constant for the duration of the experiment. Here, we derive new tracer kinetic analytical methods for non-steady state biological systems by constructing mechanistic nonlinear differential equation models of the underlying cell biological processes and linking them to a separate set of differential equations governing the kinetics of the fluorescent tracer. Linking the two sets of equations is based on a new application of the fundamental tracer principle of indistinguishability and, unlike current methods, supports correct dependence of tracer kinetics on cellular dynamics. This approach thus provides a general mathematical framework for applications of GFP fluorescence microscopy (including photobleaching [FRAP, FLIP] and photoactivation to frequently encountered experimental protocols involving physiological or pharmacological perturbations (e.g., growth factors, neurotransmitters, acute knockouts, inhibitors, hormones, cytokines, and metabolites) that initiate mechanistically informative intracellular transients. When a new steady state is achieved, these methods automatically reduce to classical steady state tracer kinetic analysis. © 2018 Phair. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

  18. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  19. Kinetic electron model for plasma thruster plumes

    Science.gov (United States)

    Merino, Mario; Mauriño, Javier; Ahedo, Eduardo

    2018-03-01

    A paraxial model of an unmagnetized, collisionless plasma plume expanding into vacuum is presented. Electrons are treated kinetically, relying on the adiabatic invariance of their radial action integral for the integration of Vlasov's equation, whereas ions are treated as a cold species. The quasi-2D plasma density, self-consistent electric potential, and electron pressure, temperature, and heat fluxes are analyzed. In particular, the model yields the collisionless cooling of electrons, which differs from the Boltzmann relation and the simple polytropic laws usually employed in fluid and hybrid PIC/fluid plume codes.

  20. An integral equation method for discrete and continuous distribution of centres in thermoluminescence kinetics

    International Nuclear Information System (INIS)

    Kantorovich, L.N.; Fogel, G.M.; Gotlib, V.I.

    1990-01-01

    Thermoluminescence kinetics is discussed within the framework of a band model containing an arbitrary number of types of recombination and trapping centres at an arbitrary correlation of all centre parameters. It is shown that the initial system of kinetic equations is reduced to an equivalent system consisting of two integro-differential equations which permit one to perform an accurate generalisation, in the case of a continuous centre distribution, to their parameters for the description of irradiation and thermoluminescence, taking into account charge carrier redistribution to both types of centre. In addition, if only one electron (hole) channel is taken into account, only one integro-differential equation is obtained. On the basis of this equation a precise algebraic equation is obtained for calculation of the area of an arbitrary part of the thermoluminescence curve (TLC), consisting of one or several peaks, which slightly overlap with other peaks. It is shown that at doses which are less than the saturation dose, when the centres are not completely filled by the charge carriers, the dose dependences of such a part of the TLC may have a non-linear character at a simultaneous linear dependence of the area of the whole TLC. At doses which are greater than the saturation dose, the dose dependences of the area of the whole TLC, as well as of its separate parts, undergo breaks at the saturation doses. (author)

  1. Multiple spatial scaling and the weak coupling approximation. II. Homogeneous kinetic equation

    Energy Technology Data Exchange (ETDEWEB)

    Kleinsmith, P E [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

    1977-08-01

    A modified form of the Bogoliubov plasma cluster expansion is applied to the derivation of a divergence-free kinetic equation from the BBGKY hierarchy. Special attention is given to the conditions under which the Landau kinetic equation may be derived from this more general formulation.

  2. Study on the numerical analysis of nuclear reactor kinetics equations

    International Nuclear Information System (INIS)

    Yang, J.C.

    1980-01-01

    A two-step alternating direction explict method is proposed for the solution of the space-and time-dependent diffusion theory reactor kinetics equations in two space dimensions as a special case of the general class of alternating direction implicit method and the truncation error of this method is estimated. To test the validity of this method it is applied to the Pressurized Water Reactor and CANDU-PHW reactor which have been operating and underconstructing in Korea. The time dependent neutron flux of the PWR reactor during control rod insertion and time dependent neutronic power of CANDU-PHW reactor in the case of postulated loss of coolant accident are obtained from the numerical calculation results. The results of the PWR reactor problem are shown the close agreement between implicit-difference method used in the TWIGL program and this method, and the results of the CANDU-PHW reactor are compared with the results of improved quasistic method and modal method. (Author)

  3. Charge exchange of muons in gases: I. Kinetic equations

    International Nuclear Information System (INIS)

    Turner, R.E.

    1983-06-01

    Kinetic equations for the spin density operators of the diamagnetic and paramagnetic states of the positive muon are obtained for the description of the slowing-down process encountered when high energy muons thermalize in a single component gas. The motion of this two species system is generated by the Liouville superoperators associated with the diamagnetic and paramagnetic spin Hamiltonians and by time-dependent rate superoperators which depict the probabilities per collision that an electron is captured or lost. These rates are translational averages of the appropriate Boltzmann collision operators. That is, they are momentum and position integrals of the product of either the electron capture or loss total cross section with the single particle translational density operators for the muon (or muonium) and a gas particle. These rates are time dependent because the muon (or muonium) translational density operator is time dependent. The initial amplitudes and phases of the observed thermal spin polarization in μSR experiments are then obtained in terms of the spin density operators emerging from the stopping regime

  4. Charge exchange of muons in gases. Kinetic equations

    International Nuclear Information System (INIS)

    Turner, R.E.

    1983-01-01

    Kinetic equations for the spin-density operators of the diamagnetic and paramagnetic states of the positive muon are obtained for the description of the slowing-down process encountered when high-energy muons thermalize in a single-component gas. The motion of this two-species system is generated by the Liouville superoperators associated with the diamagnetic and paramagnetic spin Hamiltonians and by time-dependent rate superoperators which depict the probabilities per collision that an electron is captured or lost. These rates are translational averages of the appropriate Boltzmann collision operators. That is, they are momentum and position integrals of the product of either the electron capture or loss total cross section with the single-particle translational density operators for the muon (or muonium) and a gas particle. These rates are time dependent because the muon (or muonium) translational density operator is time dependent. The initial amplitudes and phases of the observed thermal spin polarization in muon-spin-rotation (μSR) experiments are then obtained in terms of the spin-density operators emerging from the stopping regime

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

    Science.gov (United States)

    Garnier, Alain; Gaillet, Bruno

    2015-12-01

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

  6. Kinetic modeling of cell metabolism for microbial production.

    Science.gov (United States)

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

    2016-02-10

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

  7. Modeling the isochronal crystallization kinetics

    International Nuclear Information System (INIS)

    Sahay, S.S.; Krishnan, Karthik

    2004-01-01

    The classical Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, originally formulated for the isothermal condition, is often used in conjunction with additivity principle for modeling the non-isothermal crystallization kinetics. This approach at times results in significant differences between the model prediction and experimental data. In this article, a modification to this approach has been imposed via an additional functional relationship between the activation energy and heating rate. The methodology has been validated with experimental isochronal crystallization kinetic data in Se 71 Te 20 Sb 9 glass and Ge 20 Te 80 systems. It has been shown that the functional relationship between heating rate and activation energy, ascribed to the reduction in apparent activation energy due to increasing non-isothermality, provides better phenomenological description and therefore improves the prediction capability of the JMAK model under isochronal condition

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

    International Nuclear Information System (INIS)

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

    2006-12-01

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

  9. Handbook of structural equation modeling

    CERN Document Server

    Hoyle, Rick H

    2012-01-01

    The first comprehensive structural equation modeling (SEM) handbook, this accessible volume presents both the mechanics of SEM and specific SEM strategies and applications. The editor, contributors, and editorial advisory board are leading methodologists who have organized the book to move from simpler material to more statistically complex modeling approaches. Sections cover the foundations of SEM; statistical underpinnings, from assumptions to model modifications; steps in implementation, from data preparation through writing the SEM report; and basic and advanced applications, inclu

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  11. Slave equations for spin models

    International Nuclear Information System (INIS)

    Catterall, S.M.; Drummond, I.T.; Horgan, R.R.

    1992-01-01

    We apply an accelerated Langevin algorithm to the simulation of continuous spin models on the lattice. In conjunction with the evolution equation for the spins we use slave equations to compute estimators for the connected correlation functions of the model. In situations for which the symmetry of the model is sufficiently strongly broken by an external field these estimators work well and yield a signal-to-noise ratio for the Green function at large time separations more favourable than that resulting from the standard method. With the restoration of symmetry, however, the slave equation estimators exhibit an intrinsic instability associated with the growth of a power law tail in the probability distributions for the measured quantities. Once this tail has grown sufficiently strong it results in a divergence of the variance of the estimator which then ceases to be useful for measurement purposes. The instability of the slave equation method in circumstances of weak symmetry breaking precludes its use in determining the mass gap in non-linear sigma models. (orig.)

  12. A kinetic model for chemical neurotransmission

    Science.gov (United States)

    Ramirez-Santiago, Guillermo; Martinez-Valencia, Alejandro; Fernandez de Miguel, Francisco

    Recent experimental observations in presynaptic terminals at the neuromuscular junction indicate that there are stereotyped patterns of cooperativeness in the fusion of adjacent vesicles. That is, a vesicle in hemifusion process appears on the side of a fused vesicle and which is followed by another vesicle in a priming state while the next one is in a docking state. In this talk we present a kinetic model for this morphological pattern in which each vesicle state previous to the exocytosis is represented by a kinetic state. This chain states kinetic model can be analyzed by means of a Master equation whose solution is simulated with the stochastic Gillespie algorithm. With this approach we have reproduced the responses to the basal release in the absence of stimulation evoked by the electrical activity and the phenomena of facilitation and depression of neuromuscular synapses. This model offers new perspectives to understand the underlying phenomena in chemical neurotransmission based on molecular interactions that result in the cooperativity between vesicles during neurotransmitter release. DGAPA Grants IN118410 and IN200914 and Conacyt Grant 130031.

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  14. Generalized Ordinary Differential Equation Models.

    Science.gov (United States)

    Miao, Hongyu; Wu, Hulin; Xue, Hongqi

    2014-10-01

    Existing estimation methods for ordinary differential equation (ODE) models are not applicable to discrete data. The generalized ODE (GODE) model is therefore proposed and investigated for the first time. We develop the likelihood-based parameter estimation and inference methods for GODE models. We propose robust computing algorithms and rigorously investigate the asymptotic properties of the proposed estimator by considering both measurement errors and numerical errors in solving ODEs. The simulation study and application of our methods to an influenza viral dynamics study suggest that the proposed methods have a superior performance in terms of accuracy over the existing ODE model estimation approach and the extended smoothing-based (ESB) method.

  15. A kinetic model for hydrodesulfurisation

    Energy Technology Data Exchange (ETDEWEB)

    Sau, M.; Narasimhan, C.S.L.; Verma, R.P. [Indian Oil Corporation Limited, Research and Development Centre, Faridabad (India)

    1997-07-01

    Due to stringent environmental considerations and related insistence on low sulfur fuels, hydrodesulfurisation has emerged as an important component of any refining scheme globally. The process is used ranging from Naphta/Kerosine hydrotreating to heavy oil hydrotreating. Processes such as Deep gas oil desulfurisation aiming at reduction of sulfur levels to less than 500 ppm have emerged as major players in the scenario. Hydrodesulfurisation (HDS) involves parallel desulfurisation of different organo-sulfur compounds present in the complex petroleum mixtures. In order to design, monitor, optimise and control the HDS reactor, it is necessary to have a detailed, yet simple model which follows the reaction chemistry accurately. In the present paper, a kinetic model is presented for HDS using continuum theory of lumping. The sulfur distribution in the reaction mixture is treated as continuum and parallel reaction networks are devised for kinetic modelling using continuum theory of lumping approach. The model based on the above approach follows the HDS chemistry reasonably well and hence the model parameters are almost feed invariant. Methods are also devised to incorporate heat and pressure effects into the model. The model has been validated based on commercial kero-HDS data. It is found that the model predictions agree with the experimental/commercial data. 17 refs.

  16. Kinetic modelling of enzymatic starch hydrolysis

    NARCIS (Netherlands)

    Bednarska, K.A.

    2015-01-01

    Kinetic modelling of enzymatic starch hydrolysis – a summary

    K.A. Bednarska

    The dissertation entitled ‘Kinetic modelling of enzymatic starch hydrolysis’ describes the enzymatic hydrolysis and kinetic modelling of liquefaction and saccharification of wheat starch.

  17. Accelerated procedure to solve kinetic equation for neutral atoms in a hot plasma

    Science.gov (United States)

    Tokar, Mikhail Z.

    2017-12-01

    The recombination of plasma charged components, electrons and ions of hydrogen isotopes, on the wall of a fusion reactor is a source of neutral molecules and atoms, recycling back into the plasma volume. Here neutral species participate, in particular, in charge-exchange (c-x) collisions with the plasma ions and, as a result, atoms of high energies with chaotically directed velocities are generated. Some fraction of these hot atoms hit the wall. Statistical Monte Carlo methods normally used to model c-x atoms are too time consuming for reasonably small level of accident errors and extensive parameter studies are problematic. By applying pass method to evaluate integrals from functions, including the ion velocity distribution, an iteration approach to solve one-dimensional kinetic equation [1], being alternative to Monte Carlo procedure, has been tremendously accelerated, at least by a factor of 30-50 [2]. Here this approach is developed further to solve the 2-D kinetic equation, applied to model the transport of c-x atoms in the vicinity of an opening in the wall, e.g., the entrance of the duct guiding to a diagnostic installation. This is necessary to determine firmly the energy spectrum of c-x atoms penetrating into the duct and to assess the erosion of the installation there. The results of kinetic modeling are compared with those obtained with the diffusion description for c-x atoms, being strictly relevant under plasma conditions of low temperature and high density, where the mean free path length between c-x collisions is much smaller than that till the atom ionization by electrons. It is demonstrated that the previous calculations [3], done with the diffusion approximation for c-x atoms, overestimate the erosion rate of Mo mirrors in a reactor by a factor of 3 compared to the result of the present kinetic study.

  18. Kinetic modeling of Nernst effect in magnetized hohlraums

    OpenAIRE

    Joglekar, A. S.; Ridgers, Christopher Paul; Kingham, R J; Thomas, A. G. R.

    2016-01-01

    We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such...

  19. On a closed form approach to the fractional neutron point kinetics equation with temperature feedback

    International Nuclear Information System (INIS)

    Schramm, Marcelo; Bodmann, Bardo E.J.; Vilhena, Marco T.M.B.; Petersen, Claudio Z.; Alvim, Antonio C.M.

    2013-01-01

    Following the quest to find analytical solutions, we extend the methodology applied successfully to timely fractional neutron point kinetics (FNPK) equations by adding the effects of temperature. The FNPK equations with temperature feedback correspond to a nonlinear system and “stiff” type for the neutron density and the concentration of delayed neutron precursors. These variables determine the behavior of a nuclear reactor power with time and are influenced by the position of control rods, for example. The solutions of kinetics equations provide time information about the dynamics in a nuclear reactor in operation and are useful, for example, to understand the power fluctuations with time that occur during startup or shutdown of the reactor, due to adjustments of the control rods. The inclusion of temperature feedback in the model introduces an estimate of the transient behavior of the power and other variables, which are strongly coupled. Normally, a single value of reactivity is used across the energy spectrum. Especially in case of power change, the neutron energy spectrum changes as well as physical parameters such as the average cross sections. However, even knowing the importance of temperature effects on the control of the reactor power, the character of the set of nonlinear equations governing this system makes it difficult to obtain a purely analytical solution. Studies have been published in this sense, using numerical approaches. Here the idea is to consider temperature effects to make the model more realistic and thus solve it in a semi-analytical way. Therefore, the main objective of this paper is to obtain an analytical representation of fractional neutron point kinetics equations with temperature feedback, without having to resort to approximations inherent in numerical methods. To this end, we will use the decomposition method, which has been successfully used by the authors to solve neutron point kinetics problems. The results obtained will

  20. On a closed form approach to the fractional neutron point kinetics equation with temperature feedback

    Energy Technology Data Exchange (ETDEWEB)

    Schramm, Marcelo; Bodmann, Bardo E.J.; Vilhena, Marco T.M.B., E-mail: marceloschramm@hotmail.com, E-mail: bardo.bodmann@ufrgs.br, E-mail: mtmbvilhena@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Departamento de Engenharia Mecanica; Petersen, Claudio Z., E-mail: claudiopetersen@yahoo.com.br [Universidade Federal de Pelotas (UFPel), RS (Brazil). Departamento de Matematica; Alvim, Antonio C.M., E-mail: alvim@nuclear.ufrj.br [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Instituto Alberto Luiz Coimbra de Pos-Graduacao e Pesquisa em Engenharia

    2013-07-01

    Following the quest to find analytical solutions, we extend the methodology applied successfully to timely fractional neutron point kinetics (FNPK) equations by adding the effects of temperature. The FNPK equations with temperature feedback correspond to a nonlinear system and “stiff” type for the neutron density and the concentration of delayed neutron precursors. These variables determine the behavior of a nuclear reactor power with time and are influenced by the position of control rods, for example. The solutions of kinetics equations provide time information about the dynamics in a nuclear reactor in operation and are useful, for example, to understand the power fluctuations with time that occur during startup or shutdown of the reactor, due to adjustments of the control rods. The inclusion of temperature feedback in the model introduces an estimate of the transient behavior of the power and other variables, which are strongly coupled. Normally, a single value of reactivity is used across the energy spectrum. Especially in case of power change, the neutron energy spectrum changes as well as physical parameters such as the average cross sections. However, even knowing the importance of temperature effects on the control of the reactor power, the character of the set of nonlinear equations governing this system makes it difficult to obtain a purely analytical solution. Studies have been published in this sense, using numerical approaches. Here the idea is to consider temperature effects to make the model more realistic and thus solve it in a semi-analytical way. Therefore, the main objective of this paper is to obtain an analytical representation of fractional neutron point kinetics equations with temperature feedback, without having to resort to approximations inherent in numerical methods. To this end, we will use the decomposition method, which has been successfully used by the authors to solve neutron point kinetics problems. The results obtained will

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  2. Modeling the kinetics of volatilization from glass melts

    NARCIS (Netherlands)

    Beerkens, R.G.C.

    2001-01-01

    A model description for the evaporation kinetics from glass melts in direct contact with static atmospheres or flowing gas phases is presented. The derived models and equations are based on the solution of the second Ficks' diffusion law and quasi-steady-state mass transfer relations, taking into

  3. A new mathematical model for coal flotation kinetics

    OpenAIRE

    Guerrero-Pérez, Juan Sebastián; Barraza-Burgos, Juan Manuel

    2017-01-01

    Abstract This study describes the development and formulation of a novel mathematical model for coal flotation kinetic. The flotation rate was considered as a function of chemical, operating and petrographic parameters for a global flotation order n. The equation for flotation rate was obtained by dimensional analysis using the Rayleigh method. It shows the dependency of flotation kinetic on operating parameters, such as air velocity and particle size; chemical parameters, such as reagents do...

  4. ASPECTS OF KINETICS AUTOTHERMAL THERMOPHILIC AEROBIC DIGESTION OF SEWAGE SLUDGE - THE USE OF EQUATIONS OF VARIOUS ORDERS

    Directory of Open Access Journals (Sweden)

    Magdalena Filkiewicz

    2016-12-01

    Work to identify the kinetics of the process are aimed at, among others, creating a model describing the speed of the process, including obtaining an answer whether the above equations can be the basis for further work on identifying the factors influencing the stabilization process.

  5. Center manifolds for a class of degenerate evolution equations and existence of small-amplitude kinetic shocks

    Science.gov (United States)

    Pogan, Alin; Zumbrun, Kevin

    2018-06-01

    We construct center manifolds for a class of degenerate evolution equations including the steady Boltzmann equation and related kinetic models, establishing in the process existence and behavior of small-amplitude kinetic shock and boundary layers. Notably, for Boltzmann's equation, we show that elements of the center manifold decay in velocity at near-Maxwellian rate, in accord with the formal Chapman-Enskog picture of near-equilibrium flow as evolution along the manifold of Maxwellian states, or Grad moment approximation via Hermite polynomials in velocity. Our analysis is from a classical dynamical systems point of view, with a number of interesting modifications to accommodate ill-posedness of the underlying evolution equation.

  6. Kinetic equations within the formalism of non-equilibrium thermo field dynamics

    International Nuclear Information System (INIS)

    Arimitsu, Toshihico

    1988-01-01

    After reviewing the real-time formalism of dissipative quantum field theory, i.e. non-equilibrium thermo field dynamics (NETFD), a kinetic equation, a self-consistent equation for the dissipation coefficient and a ''mass'' or ''chemical potential'' renormalization equation for non-equilibrium transient situations are extracted out of the two-point Green's function of the Heisenberg field, in their most general forms upon the basic requirements of NETFD. The formulation is applied to the electron-phonon system, as an example, where the gradient expansion and the quasi-particle approximation are performed. The formalism of NETFD is reinvestigated in connection with the kinetic equations. (orig.)

  7. Fully implicit kinetic modelling of collisional plasmas

    International Nuclear Information System (INIS)

    Mousseau, V.A.

    1996-05-01

    This dissertation describes a numerical technique, Matrix-Free Newton Krylov, for solving a simplified Vlasov-Fokker-Planck equation. This method is both deterministic and fully implicit, and may not have been a viable option before current developments in numerical methods. Results are presented that indicate the efficiency of the Matrix-Free Newton Krylov method for these fully-coupled, nonlinear integro-differential equations. The use and requirement for advanced differencing is also shown. To this end, implementations of Chang-Cooper differencing and flux limited Quadratic Upstream Interpolation for Convective Kinematics (QUICK) are presented. Results are given for a fully kinetic ion-electron problem with a self consistent electric field calculated from the ion and electron distribution functions. This numerical method, including advanced differencing, provides accurate solutions, which quickly converge on workstation class machines. It is demonstrated that efficient steady-state solutions can be achieved to the non-linear integro-differential equation, obtaining quadratic convergence, without incurring the large memory requirements of an integral operator. Model problems are presented which simulate plasma impinging on a plate with both high and low neutral particle recycling typical of a divertor in a Tokamak device. These model problems demonstrate the performance of the new solution method

  8. On Generalized Fractional Kinetic Equations Involving Generalized Bessel Function of the First Kind

    Directory of Open Access Journals (Sweden)

    Dinesh Kumar

    2015-01-01

    Full Text Available We develop a new and further generalized form of the fractional kinetic equation involving generalized Bessel function of the first kind. The manifold generality of the generalized Bessel function of the first kind is discussed in terms of the solution of the fractional kinetic equation in the paper. The results obtained here are quite general in nature and capable of yielding a very large number of known and (presumably new results.

  9. Transport and relaxation properties of superfluid 3He. I. Kinetic equation and Bogoliubov quasiparticle relaxation rate

    International Nuclear Information System (INIS)

    Einzel, D.; Woelfle, P.

    1978-01-01

    The kinetic equation for Bogoliubov quasiparticles for both the A and B phases of superfluid 3 He is derived from the general matrix kinetic equation. A condensed expression for the exact spin-symmetric collision integral is given. The quasiparticle relaxation rate is calculated for the BW state using the s--p approximation for the quasiparticle scattering amplitude. By using the results for the quasiparticle relaxation rate, the mean free path of Bogoliubov quasiparticles is calculated for all temperatures

  10. An asymptotic preserving unified gas kinetic scheme for gray radiative transfer equations

    International Nuclear Information System (INIS)

    Sun, Wenjun; Jiang, Song; Xu, Kun

    2015-01-01

    The solutions of radiative transport equations can cover both optical thin and optical thick regimes due to the large variation of photon's mean-free path and its interaction with the material. In the small mean free path limit, the nonlinear time-dependent radiative transfer equations can converge to an equilibrium diffusion equation due to the intensive interaction between radiation and material. In the optical thin limit, the photon free transport mechanism will emerge. In this paper, we are going to develop an accurate and robust asymptotic preserving unified gas kinetic scheme (AP-UGKS) for the gray radiative transfer equations, where the radiation transport equation is coupled with the material thermal energy equation. The current work is based on the UGKS framework for the rarefied gas dynamics [14], and is an extension of a recent work [12] from a one-dimensional linear radiation transport equation to a nonlinear two-dimensional gray radiative system. The newly developed scheme has the asymptotic preserving (AP) property in the optically thick regime in the capturing of diffusive solution without using a cell size being smaller than the photon's mean free path and time step being less than the photon collision time. Besides the diffusion limit, the scheme can capture the exact solution in the optical thin regime as well. The current scheme is a finite volume method. Due to the direct modeling for the time evolution solution of the interface radiative intensity, a smooth transition of the transport physics from optical thin to optical thick can be accurately recovered. Many numerical examples are included to validate the current approach

  11. Kinetic equations for clean superconductors: Application to the flux flow hall effect

    International Nuclear Information System (INIS)

    Kopnin, N.B.

    1994-01-01

    The kinetic equations for clean superconductors (l>>ζ) are derived. expanding the equations for the time dependent Green functions in the quasiclassical parameter, the new contributions are found which contain the derivatives of the distribution functions with respect to the quasiparticle momentum. The transition from the ultra-clean case (no relaxation) to a relaxation-dominated behavior, for which the kinetic equations coincide with the usual quasiclassical approximation, occurs for the relaxation time of the order of ℎE F /Δ 2 . The kinetic equations can be used for various dynamic processes in superconductors including the flux-flow Hall effect. The derived equations, after necessary modifications for the p-wave pairing, are especially suitable for nonstationary problems in the theory of superfluidity of 3 He

  12. Ising models and soliton equations

    International Nuclear Information System (INIS)

    Perk, J.H.H.; Au-Yang, H.

    1985-01-01

    Several new results for the critical point of correlation functions of the Hirota equation are derived within the two-dimensional Ising model. The recent success of the conformal-invariance approach in the determination of a critical two-spin correration function is analyzed. The two-spin correlation function is predicted to be rotationally invariant and to decay with a power law in this approach. In the approach suggested here systematic corrections due to the underlying lattice breaking the rotational invariance are obtained

  13. Evaluation of Lagergren Kinetics Equation by Using Novel Kinetics Expression of Sorption of Zn2+ onto Horse Dung Humic Acid (HD-HA

    Directory of Open Access Journals (Sweden)

    Bambang Rusdiarso

    2016-12-01

    Full Text Available Extraction and purification of humic acid from dry horse dung powder (HD-HA was performed successfully and the purified HD-HA was then applied as sorbent to adsorb Zn2+. Extraction and purification were performed based on procedure of Stevenson (1994 under atmospheric air. Parameters investigated in this work consist of effect of medium sorption acidity, sorption rate (ka and desorption rate constant (kd, Langmuir (monolayer and Freundlich (multilayer sorption capacities, and energy (E of sorption. The ka and kd were determined according to the kinetic model of second order sorption reaching equilibrium, monolayer sorption capacity (b and energy (E were determined according to Langmuir isotherm model, and multilayer sorption capacity (B was determined based on Freundlich isotherm model. Sorption of Zn2+ on purified HD-HA was maximum at pH 5.0. The novel kinetic expression resulted from proposed kinetic model has been shown to be more applicable than the commonly known Lagergren equation obtained from the pseudo-first order sorption model. The application of the equation revealed that the intercept of Lagergren equation, ln qe was more complex function of initial concentration of Zn2+ (a, Langmuir sorption capacity (b, and sorbed Zn2+ at equilibrium (xe.

  14. Temperature waves and the Boltzmann kinetic equation for phonons

    International Nuclear Information System (INIS)

    Urushev, D.; Borisov, M.; Vavrek, A.

    1988-01-01

    The ordinary parabolic equation for thermal conduction based on the Fourier empiric law as well as the generalized thermal conduction equation based on the Maxwell law have been derived from the Boltzmann equation for the phonons within the relaxation time approximation. The temperature waves of the so-called second sound in crystals at low temperatures are transformed into Fourier waves at low frequencies with respect to the characteristic frequency of the U-processes. These waves are transformed into temperature waves similar to the second sound waves in He II at frequences higher than the U-processes characteristic. 1 fig., 19 refs

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

    African Journals Online (AJOL)

    In order to describe and predict the growth and expression of recombinant proteins by using a genetically modified Pichia pastoris, we developed a number of unstructured models based on growth kinetic equation, fed-batch mass balance and the assumptions of constant cell and protein yields. The growth of P. pastoris on ...

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

    International Nuclear Information System (INIS)

    Zhu Qian; Luo Lei; Chen Zhiyun; Li Haofeng

    2010-01-01

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

  17. An efficient technique for the point reactor kinetics equations with Newtonian temperature feedback effects

    International Nuclear Information System (INIS)

    Nahla, Abdallah A.

    2011-01-01

    Highlights: → An efficient technique for the nonlinear reactor kinetics equations is presented. → This method is based on Backward Euler or Crank Nicholson and fundamental matrix. → Stability of efficient technique is defined and discussed. → This method is applied to point kinetics equations of six-groups of delayed neutrons. → Step, ramp, sinusoidal and temperature feedback reactivities are discussed. - Abstract: The point reactor kinetics equations of multi-group of delayed neutrons in the presence Newtonian temperature feedback effects are a system of stiff nonlinear ordinary differential equations which have not any exact analytical solution. The efficient technique for this nonlinear system is based on changing this nonlinear system to a linear system by the predicted value of reactivity and solving this linear system using the fundamental matrix of the homogenous linear differential equations. The nonlinear point reactor kinetics equations are rewritten in the matrix form. The solution of this matrix form is introduced. This solution contains the exponential function of a variable coefficient matrix. This coefficient matrix contains the unknown variable, reactivity. The predicted values of reactivity in the explicit form are determined replacing the exponential function of the coefficient matrix by two kinds, Backward Euler and Crank Nicholson, of the rational approximations. The nonlinear point kinetics equations changed to a linear system of the homogenous differential equations. The fundamental matrix of this linear system is calculated using the eigenvalues and the corresponding eigenvectors of the coefficient matrix. Stability of the efficient technique is defined and discussed. The efficient technique is applied to the point kinetics equations of six-groups of delayed neutrons with step, ramp, sinusoidal and the temperature feedback reactivities. The results of these efficient techniques are compared with the traditional methods.

  18. Kinetics model for lutate dosimetry

    International Nuclear Information System (INIS)

    Lima, M.F.; Mesquita, C.H.

    2013-01-01

    The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp®. The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)

  19. Kinetics model for lutate dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Lima, M.F.; Mesquita, C.H., E-mail: mflima@ipen.br, E-mail: chmesqui@ipen.br [Instituto de Pesquisas Energeticas (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2013-11-01

    The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp Registered-Sign . The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)

  20. Correlations and the Ring-Kinetic Equation in Dense Sheared Granular Flows

    Science.gov (United States)

    Kumaran, V.

    A formal way of deriving fluctuation-correlation relations in densesheared granular media, starting with the Enskog approximation for the collision integral in the Chapman-Enskog theory, is discussed. The correlation correction to the viscosity is obtained using the ring-kinetic equation, in terms of the correlations in the hydrodynamic modes of the linearised Enskog equation. It is shown that the Green-Kubo formula for the shear viscosity emerges from the two-body correlation function obtained from the ring-kinetic equation.

  1. Numerical solution of the point reactor kinetics equations with fuel burn-up and temperature feedback

    International Nuclear Information System (INIS)

    Tashakor, S.; Jahanfarnia, G.; Hashemi-Tilehnoee, M.

    2010-01-01

    Point reactor kinetics equations are solved numerically using one group of delayed neutrons and with fuel burn-up and temperature feedback included. To calculate the fraction of one-group delayed neutrons, a group of differential equations are solved by an implicit time method. Using point reactor kinetics equations, changes in mean neutrons density, temperature, and reactivity are calculated in different times during the reactor operation. The variation of reactivity, temperature, and maximum power with time are compared with the predictions by other methods.

  2. Crystallization Kinetics within a Generic Modeling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist V.

    2014-01-01

    of employing a well-structured model library for storage, use/reuse, and analysis of the kinetic models are highlighted. Examples illustrating the application of the modeling framework for kinetic model discrimination related to simulation of specific crystallization scenarios and for kinetic model parameter......A new and extended version of a generic modeling framework for analysis and design of crystallization operations is presented. The new features of this framework are described, with focus on development, implementation, identification, and analysis of crystallization kinetic models. Issues related...... to the modeling of various kinetic phenomena like nucleation, growth, agglomeration, and breakage are discussed in terms of model forms, model parameters, their availability and/or estimation, and their selection and application for specific crystallization operational scenarios under study. The advantages...

  3. Comparison of kinetic model for biogas production from corn cob

    Science.gov (United States)

    Shitophyta, L. M.; Maryudi

    2018-04-01

    Energy demand increases every day, while the energy source especially fossil energy depletes increasingly. One of the solutions to overcome the energy depletion is to provide renewable energies such as biogas. Biogas can be generated by corn cob and food waste. In this study, biogas production was carried out by solid-state anaerobic digestion. The steps of biogas production were the preparation of feedstock, the solid-state anaerobic digestion, and the measurement of biogas volume. This study was conducted on TS content of 20%, 22%, and 24%. The aim of this research was to compare kinetic models of biogas production from corn cob and food waste as a co-digestion using the linear, exponential equation, and first-kinetic models. The result showed that the exponential equation had a better correlation than the linear equation on the ascending graph of biogas production. On the contrary, the linear equation had a better correlation than the exponential equation on the descending graph of biogas production. The correlation values on the first-kinetic model had the smallest value compared to the linear and exponential models.

  4. Derivation of a new kinetic equation. Application to the determination of viscosity coefficients

    International Nuclear Information System (INIS)

    Frey, Jean-Jacques

    1970-01-01

    By introducing a new hypothesis concerning the closure in the B.B.G.K.Y. equation system, an approximate expression for f 12 is obtained. By inserting this expression in the first B.B.G.K.Y. equation, a new kinetic equation results. It is verified that this equation does in fact give the fluid mechanics equations, and new expressions for the shear and expansion viscosity coefficients are obtained. The numerical calculations which have been carried out show that very satisfactory agreement exists with experimental results. (author) [fr

  5. Kinetics and hybrid kinetic-fluid models for nonequilibrium gas and plasmas

    International Nuclear Information System (INIS)

    Crouseilles, N.

    2004-12-01

    For a few decades, the application of the physics of plasmas has appeared in different fields like laser-matter interaction, astrophysics or thermonuclear fusion. In this thesis, we are interested in the modeling and the numerical study of nonequilibrium gas and plasmas. To describe such systems, two ways are usually used: the fluid description and the kinetic description. When we study a nonequilibrium system, fluid models are not sufficient and a kinetic description have to be used. However, solving a kinetic model requires the discretization of a large number of variables, which is quite expensive from a numerical point of view. The aim of this work is to propose a hybrid kinetic-fluid model thanks to a domain decomposition method in the velocity space. The derivation of the hybrid model is done in two different contexts: the rarefied gas context and the more complicated plasmas context. The derivation partly relies on Levermore's entropy minimization approach. The so-obtained model is then discretized and validated on various numerical test cases. In a second stage, a numerical study of a fully kinetic model is presented. A collisional plasma constituted of electrons and ions is considered through the Vlasov-Poisson-Fokker-Planck-Landau equation. Then, a numerical scheme which preserves total mass and total energy is presented. This discretization permits in particular a numerical study of the Landau damping. (author)

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

    International Nuclear Information System (INIS)

    Ratemi, W.M.

    2011-01-01

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

  7. Thermoviscous Model Equations in Nonlinear Acoustics

    DEFF Research Database (Denmark)

    Rasmussen, Anders Rønne

    Four nonlinear acoustical wave equations that apply to both perfect gasses and arbitrary fluids with a quadratic equation of state are studied. Shock and rarefaction wave solutions to the equations are studied. In order to assess the accuracy of the wave equations, their solutions are compared...... to solutions of the basic equations from which the wave equations are derived. A straightforward weakly nonlinear equation is the most accurate for shock modeling. A higher order wave equation is the most accurate for modeling of smooth disturbances. Investigations of the linear stability properties...... of solutions to the wave equations, reveal that the solutions may become unstable. Such instabilities are not found in the basic equations. Interacting shocks and standing shocks are investigated....

  8. Numerical solution of the kinetic equation in reactor shielding

    International Nuclear Information System (INIS)

    Germogenova, T.A.

    1975-01-01

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

  9. Modeling composting kinetics: A review of approaches

    NARCIS (Netherlands)

    Hamelers, H.V.M.

    2004-01-01

    Composting kinetics modeling is necessary to design and operate composting facilities that comply with strict market demands and tight environmental legislation. Current composting kinetics modeling can be characterized as inductive, i.e. the data are the starting point of the modeling process and

  10. Interactive differential equations modeling program

    International Nuclear Information System (INIS)

    Rust, B.W.; Mankin, J.B.

    1976-01-01

    Due to the recent emphasis on mathematical modeling, many ecologists are using mathematics and computers more than ever, and engineers, mathematicians and physical scientists are now included in ecological projects. However, the individual ecologist, with intuitive knowledge of the system, still requires the means to critically examine and adjust system models. An interactive program was developed with the primary goal of allowing an ecologist with minimal experience in either mathematics or computers to develop a system model. It has also been used successfully by systems ecologists, engineers, and mathematicians. This program was written in FORTRAN for the DEC PDP-10, a remote terminal system at Oak Ridge National Laboratory. However, with relatively minor modifications, it can be implemented on any remote terminal system with a FORTRAN IV compiler, or equivalent. This program may be used to simulate any phenomenon which can be described as a system of ordinary differential equations. The program allows the user to interactively change system parameters and/or initial conditions, to interactively select a set of variables to be plotted, and to model discontinuities in the state variables and/or their derivatives. One of the most useful features to the non-computer specialist is the ability to interactively address the system parameters by name and to interactively adjust their values between simulations. These and other features are described in greater detail

  11. 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].

  12. Analytic solutions of the multigroup space-time reactor kinetics equations

    International Nuclear Information System (INIS)

    Lee, C.E.; Rottler, S.

    1986-01-01

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

  13. Stability of generalized Runge-Kutta methods for stiff kinetics coupled differential equations

    International Nuclear Information System (INIS)

    Aboanber, A E

    2006-01-01

    A stability and efficiency improved class of generalized Runge-Kutta methods of order 4 are developed for the numerical solution of stiff system kinetics equations for linear and/or nonlinear coupled differential equations. The determination of the coefficients required by the method is precisely obtained from the so-called equations of condition which in turn are derived by an approach based on Butcher series. Since the equations of condition are fewer in number, free parameters can be chosen for optimizing any desired feature of the process. A further related coefficient set with different values of these parameters and the region of absolute stability of the method have been introduced. In addition, the A(α) stability properties of the method are investigated. Implementing the method in a personal computer estimated the accuracy and speed of calculations and verified the good performances of the proposed new schemes for several sample problems of the stiff system point kinetics equations with reactivity feedback

  14. A kinetic-MHD model for low frequency phenomena

    International Nuclear Information System (INIS)

    Cheng, C.Z.

    1991-07-01

    A hybrid kinetic-MHD model for describing low-frequency phenomena in high beta anisotropic plasmas that consist of two components: a low energy core component and an energetic component with low density. The kinetic-MHD model treats the low energy core component by magnetohydrodynamic (MHD) description, the energetic component by kinetic approach such as the gyrokinetic equation, and the coupling between the dynamics of these two components through plasma pressure in the momentum equation. The kinetic-MHD model optimizes both the physics contents and the theoretical efforts in studying low frequency MHD waves and transport phenomena in general magnetic field geometries, and can be easily modified to include the core plasma kinetic effects if necessary. It is applicable to any magnetized collisionless plasma system where the parallel electric field effects are negligibly small. In the linearized limit two coupled eigenmode equations for describing the coupling between the transverse Alfven type and the compressional Alfven type waves are derived. The eigenmode equations are identical to those derived from the full gyrokinetic equation in the low frequency limit and were previously analyzed both analytically nd numerically to obtain the eigenmode structure of the drift mirror instability which explains successfully the multi-satellite observation of antisymmetric field-aligned structure of the compressional magnetic field of Pc 5 waves in the magnetospheric ring current plasma. Finally, a quadratic form is derived to demonstrate the stability of the low-frequency transverse and compressional Alfven type instabilities in terms of the pressure anisotropy parameter τ and the magnetic field curvature-pressure gradient parameter. A procedure for determining the stability of a marginally stable MHD wave due to wave-particle resonances is also presented

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

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

    Science.gov (United States)

    Kumar, Dilip

    2013-04-01

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

  17. From quantum to semiclassical kinetic equations: Nuclear matter estimates

    International Nuclear Information System (INIS)

    Galetti, D.; Mizrahi, S.S.; Nemes, M.C.; Toledo Piza, A.F.R. de

    1985-01-01

    Starting from the exact microscopic time evolution of the quantum one body density associated with a many fermion system semiclassical approximations are derived to it. In the limit where small momentum transfer two body collisions are dominant we get a Fokker-Planck equation and work out friction and diffusion tensors explicitly for nuclear matter. If arbitrary momentum transfers are considered a Boltzmann equation is derived and used to calculate the viscosity coefficient of nuclear matter. A derivation is given of the collision term used by Landau to describe the damping of zero sound waves at low temperature in Plasmas. Memory effects are essential for this. The damping of zero sound waves in nuclear matter is also calculated and the value so obtained associated with the bulk value of the damping of giant resonances in finite nuclei. The bulk value is estimated to be quite small indicating the importance of the nuclear surface for the damping. (Author) [pt

  18. Initial state dependence of nonlinear kinetic equations: The classical electron gas

    International Nuclear Information System (INIS)

    Marchetti, M.C.; Cohen, E.G.D.; Dorfman, J.R.; Kirkpatrick, T.R.

    1985-01-01

    The method of nonequilibrium cluster expansion is used to study the decay to equilibrium of a weakly coupled inhomogeneous electron gas prepared in a local equilibrium state at the initial time, t=0. A nonlinear kinetic equation describing the long time behavior of the one-particle distribution function is obtained. For consistency, initial correlations have to be taken into account. The resulting kinetic equation-differs from that obtained when the initial state of the system is assumed to be factorized in a product of one-particle functions. The question of to what extent correlations in the initial state play an essential role in determining the form of the kinetic equation at long times is discussed. To that end, the present calculations are compared wih results obtained before for hard sphere gases and in general with strong short-range forces. A partial answer is proposed and some open questions are indicated

  19. A Gas-kinetic Discontinuous Galerkin Method for Viscous Flow Equations

    International Nuclear Information System (INIS)

    Liu, Hongwei; Xu, Kun

    2007-01-01

    This paper presents a Runge-Kutta discontinuous Galerkin (RKDG) method for viscous flow computation. The construction of the RKDG method is based on a gas-kinetic formulation, which not only couples the convective and dissipative terms together, but also includes both discontinuous and continuous representation in the flux evaluation at the cell interface through a simple hybrid gas distribution function. Due to the intrinsic connection between the gaskinetic BGK model and the Navier-Stokes equations, the Navier-Stokes flux is automatically obtained by the present method. Numerical examples for both one dimensional (10) and two dimensional(20) compressible viscous flows are presented to demonstrate the accuracy and shock capturing capability of the current RKDG method

  20. Kinetic computer modeling of microwave surface-wave plasma production

    International Nuclear Information System (INIS)

    Ganachev, Ivan P.

    2004-01-01

    Kinetic computer plasma modeling occupies an intermediate position between the time consuming rigorous particle dynamic simulation and the fast but rather rough cold- or warm-plasma fluid models. The present paper reviews the kinetic modeling of microwave surface-wave discharges with accent on recent kinetic self-consistent models, where the external input parameters are reduced to the necessary minimum (frequency and intensity of the applied microwave field and pressure and geometry of the discharge vessel). The presentation is limited to low pressures, so that Boltzmann equation is solved in non-local approximation and collisional electron heating is neglected. The numerical results reproduce correctly the bi-Maxwellian electron energy distribution functions observed experimentally. (author)

  1. Chemical Kinetic Modeling of 2-Methylhexane Combustion

    KAUST Repository

    Mohamed, Samah Y.

    2015-03-30

    Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important for investigating the combustion behavior of diesel, gasoline, and aviation fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values and rate rules. These update provides a better agreement with rapid compression machine measurements of ignition delay time, while also strengthening the fundamental basis of the model.

  2. Comparative analysis among several methods used to solve the point kinetic equations

    International Nuclear Information System (INIS)

    Nunes, Anderson L.; Goncalves, Alessandro da C.; Martinez, Aquilino S.; Silva, Fernando Carvalho da

    2007-01-01

    The main objective of this work consists on the methodology development for comparison of several methods for the kinetics equations points solution. The evaluated methods are: the finite differences method, the stiffness confinement method, improved stiffness confinement method and the piecewise constant approximations method. These methods were implemented and compared through a systematic analysis that consists basically of confronting which one of the methods consume smaller computational time with higher precision. It was calculated the relative which function is to combine both criteria in order to reach the goal. Through the analyses of the performance factor it is possible to choose the best method for the solution of point kinetics equations. (author)

  3. Comparative analysis among several methods used to solve the point kinetic equations

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, Anderson L.; Goncalves, Alessandro da C.; Martinez, Aquilino S.; Silva, Fernando Carvalho da [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear; E-mails: alupo@if.ufrj.br; agoncalves@con.ufrj.br; aquilino@lmp.ufrj.br; fernando@con.ufrj.br

    2007-07-01

    The main objective of this work consists on the methodology development for comparison of several methods for the kinetics equations points solution. The evaluated methods are: the finite differences method, the stiffness confinement method, improved stiffness confinement method and the piecewise constant approximations method. These methods were implemented and compared through a systematic analysis that consists basically of confronting which one of the methods consume smaller computational time with higher precision. It was calculated the relative which function is to combine both criteria in order to reach the goal. Through the analyses of the performance factor it is possible to choose the best method for the solution of point kinetics equations. (author)

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  5. A mathematical model for iodine kinetics

    International Nuclear Information System (INIS)

    Silva, E.A.T. da.

    1976-01-01

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

  6. Chemical Kinetic Modeling of 2-Methylhexane Combustion

    KAUST Repository

    Mohamed, Samah Y.; Sarathy, Mani

    2015-01-01

    necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values

  7. A new integral method for solving the point reactor neutron kinetics equations

    International Nuclear Information System (INIS)

    Li Haofeng; Chen Wenzhen; Luo Lei; Zhu Qian

    2009-01-01

    A numerical integral method that efficiently provides the solution of the point kinetics equations by using the better basis function (BBF) for the approximation of the neutron density in one time step integrations is described and investigated. The approach is based on an exact analytic integration of the neutron density equation, where the stiffness of the equations is overcome by the fully implicit formulation. The procedure is tested by using a variety of reactivity functions, including step reactivity insertion, ramp input and oscillatory reactivity changes. The solution of the better basis function method is compared to other analytical and numerical solutions of the point reactor kinetics equations. The results show that selecting a better basis function can improve the efficiency and accuracy of this integral method. The better basis function method can be used in real time forecasting for power reactors in order to prevent reactivity accidents.

  8. Small velocity and finite temperature variations in kinetic relaxation models

    KAUST Repository

    Markowich, Peter; Jü ngel, Ansgar; Aoki, Kazuo

    2010-01-01

    A small Knuden number analysis of a kinetic equation in the diffusive scaling is performed. The collision kernel is of BGK type with a general local Gibbs state. Assuming that the flow velocity is of the order of the Knudsen number, a Hilbert expansion yields a macroscopic model with finite temperature variations, whose complexity lies in between the hydrodynamic and the energy-transport equations. Its mathematical structure is explored and macroscopic models for specific examples of the global Gibbs state are presented. © American Institute of Mathematical Sciences.

  9. Kinetic modeling of Nernst effect in magnetized hohlraums.

    Science.gov (United States)

    Joglekar, A S; Ridgers, C P; Kingham, R J; Thomas, A G R

    2016-04-01

    We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such as anomalous heat flow are induced by inverse bremsstrahlung heating. We show magnetic field amplification up to a factor of 3 from Nernst compression into the hohlraum wall. The magnetic field is also expelled towards the hohlraum axis due to Nernst advection faster than frozen-in flux would suggest. Nonlocality contributes to the heat flow towards the hohlraum axis and results in an augmented Nernst advection mechanism that is included self-consistently through kinetic modeling.

  10. Reproducing Phenomenology of Peroxidation Kinetics via Model Optimization

    Science.gov (United States)

    Ruslanov, Anatole D.; Bashylau, Anton V.

    2010-06-01

    We studied mathematical modeling of lipid peroxidation using a biochemical model system of iron (II)-ascorbate-dependent lipid peroxidation of rat hepatocyte mitochondrial fractions. We found that antioxidants extracted from plants demonstrate a high intensity of peroxidation inhibition. We simplified the system of differential equations that describes the kinetics of the mathematical model to a first order equation, which can be solved analytically. Moreover, we endeavor to algorithmically and heuristically recreate the processes and construct an environment that closely resembles the corresponding natural system. Our results demonstrate that it is possible to theoretically predict both the kinetics of oxidation and the intensity of inhibition without resorting to analytical and biochemical research, which is important for cost-effective discovery and development of medical agents with antioxidant action from the medicinal plants.

  11. Numerical solution of multi groups point kinetic equations by simulink toolbox of Matlab software

    International Nuclear Information System (INIS)

    Hadad, K.; Mohamadi, A.; Sabet, H.; Ayobian, N.; Khani, M.

    2004-01-01

    The simulink toolbox of Matlab Software was employed to solve the point kinetics equation with six group delayed neutrons. The method of Adams-Bash ford showed a good convergence in solving the system of simultaneous equations and the obtained results showed good agreements with other numerical schemes. The flexibility of the package in changing the system parameters and the user friendly interface makes this approach a reliable educational package in revealing the affects of reactivity changes on power incursions

  12. BRIEF COMMUNICATION: On the drift kinetic equation driven by plasma flows

    Science.gov (United States)

    Shaing, K. C.

    2010-07-01

    A drift kinetic equation that is driven by plasma flows has previously been derived by Shaing and Spong 1990 (Phys. Fluids B 2 1190). The terms that are driven by particle speed that is parallel to the magnetic field B have been neglected. Here, such terms are discussed to examine their importance to the equation and to show that these terms do not contribute to the calculations of plasma viscosity in large aspect ratio toroidal plasmas, e.g. tokamaks and stellarators.

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

    International Nuclear Information System (INIS)

    Henrice Junior, Edson; Goncalves, Alessandro C.

    2013-01-01

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

  14. Solution of the kinetic equation in the P3-approximation in a plane geometry

    International Nuclear Information System (INIS)

    Vlasov, Yu.A.

    1975-01-01

    A method and a program are described for solving single-velocity kinetic equations of neutron transfer for the plane geometry in the finite-difference approximation. A difference high-accuracy scheme and a matrix factorization method are used for the differential-difference equation systems. The program is written in the ALGOL-60 language and is adapted for M-20, M-220, M-222 and BESM-4 computers

  15. Generalized multivariate Fokker-Planck equations derived from kinetic transport theory and linear nonequilibrium thermodynamics

    International Nuclear Information System (INIS)

    Frank, T.D.

    2002-01-01

    We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions

  16. Derivation of regularized Grad's moment system from kinetic equations: modes, ghosts and non-Markov fluxes

    Science.gov (United States)

    Karlin, Ilya

    2018-04-01

    Derivation of the dynamic correction to Grad's moment system from kinetic equations (regularized Grad's 13 moment system, or R13) is revisited. The R13 distribution function is found as a superposition of eight modes. Three primary modes, known from the previous derivation (Karlin et al. 1998 Phys. Rev. E 57, 1668-1672. (doi:10.1103/PhysRevE.57.1668)), are extended into the nonlinear parameter domain. Three essentially nonlinear modes are identified, and two ghost modes which do not contribute to the R13 fluxes are revealed. The eight-mode structure of the R13 distribution function implies partition of R13 fluxes into two types of contributions: dissipative fluxes (both linear and nonlinear) and nonlinear streamline convective fluxes. Physical interpretation of the latter non-dissipative and non-local in time effect is discussed. A non-perturbative R13-type solution is demonstrated for a simple Lorentz scattering kinetic model. The results of this study clarify the intrinsic structure of the R13 system. This article is part of the theme issue `Hilbert's sixth problem'.

  17. Modeling inhomogeneous DNA replication kinetics.

    Directory of Open Access Journals (Sweden)

    Michel G Gauthier

    Full Text Available In eukaryotic organisms, DNA replication is initiated at a series of chromosomal locations called origins, where replication forks are assembled proceeding bidirectionally to replicate the genome. The distribution and firing rate of these origins, in conjunction with the velocity at which forks progress, dictate the program of the replication process. Previous attempts at modeling DNA replication in eukaryotes have focused on cases where the firing rate and the velocity of replication forks are homogeneous, or uniform, across the genome. However, it is now known that there are large variations in origin activity along the genome and variations in fork velocities can also take place. Here, we generalize previous approaches to modeling replication, to allow for arbitrary spatial variation of initiation rates and fork velocities. We derive rate equations for left- and right-moving forks and for replication probability over time that can be solved numerically to obtain the mean-field replication program. This method accurately reproduces the results of DNA replication simulation. We also successfully adapted our approach to the inverse problem of fitting measurements of DNA replication performed on single DNA molecules. Since such measurements are performed on specified portion of the genome, the examined DNA molecules may be replicated by forks that originate either within the studied molecule or outside of it. This problem was solved by using an effective flux of incoming replication forks at the model boundaries to represent the origin activity outside the studied region. Using this approach, we show that reliable inferences can be made about the replication of specific portions of the genome even if the amount of data that can be obtained from single-molecule experiments is generally limited.

  18. A flexible multipurpose model for normal and transient cell kinetics

    International Nuclear Information System (INIS)

    Toivonen, Harri.

    1979-07-01

    The internal hypothetical compartments within the different phases of the cell cycle have been adopted as the basis of models dealing with various specific problems in cell kinetics. This approach was found to be of more general validity, extending from expanding cell populations to complex maturation processes. The differential equations describing the system were solved with an effective, commercially available library subroutine. Special attention was devoted to analysis of transient and feedback kinetics of cell populations encountered in diverse environmental and exposure conditions, for instance in cases of wounding and radiation damage. (author)

  19. Unified implicit kinetic scheme for steady multiscale heat transfer based on the phonon Boltzmann transport equation

    Science.gov (United States)

    Zhang, Chuang; Guo, Zhaoli; Chen, Songze

    2017-12-01

    An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.

  20. Analysis of atmospheric flow over a surface protrusion using the turbulence kinetic energy equation with reference to aeronautical operating systems

    Science.gov (United States)

    Frost, W.; Harper, W. L.

    1975-01-01

    Flow over surface obstructions can produce significantly large wind shears such that adverse flying conditions can occur for aeronautical systems (helicopters, STOL vehicles, etc.). Atmospheric flow fields resulting from a semi-elliptical surface obstruction in an otherwise horizontally homogeneous statistically stationary flow are modelled with the boundary-layer/Boussinesq-approximation of the governing equation of fluid mechanics. The turbulence kinetic energy equation is used to determine the dissipative effects of turbulent shear on the mean flow. Iso-lines of turbulence kinetic energy and turbulence intensity are plotted in the plane of the flow and highlight regions of high turbulence intensity in the stagnation zone and sharp gradients in intensity along the transition from adverse to favourable pressure gradient. Discussion of the effects of the disturbed wind field in CTOL and STOL aircraft flight path and obstruction clearance standards is given. The results indicate that closer inspection of these presently recommended standards as influenced by wind over irregular terrains is required.

  1. Application of flexible model in neutron dynamics equations

    International Nuclear Information System (INIS)

    Liu Cheng; Zhao Fuyu; Fu Xiangang

    2009-01-01

    Big errors will occur in the modeling by multimode methodology when the available core physical parameter sets are insufficient. In this paper, the fuzzy logic membership function is introduced to figure out the values of these parameters on any point of lifetime through limited several sets of values, and thus to obtain the neutron dynamics equations on any point of lifetime. In order to overcome the effect of subjectivity in the membership function selection on the parameter calculation, quadratic optimization is carried out to the membership function by genetic algorithm, to result in a more accurate neutron kinetics equation on any point of lifetime. (authors)

  2. On the equivalence of convergent kinetic equations for hot dilute plasmas: Generating functions for collision brackets

    NARCIS (Netherlands)

    Cohen, J.S.; Suttorp, L.G.

    1982-01-01

    The generating functions for the collision brackets associated with two alternative convergent kinetic equations are derived for small values of the plasma parameter. It is shown that the first few terms in the asymptotic expansions of these generating functions are identical. Consequently, both

  3. Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

    International Nuclear Information System (INIS)

    Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai

    2014-01-01

    A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  4. Comparison of two forms of Vlasov-type relativistic kinetic equations in hadrodynamics

    International Nuclear Information System (INIS)

    Mashnik, S.G.; Maino, G.

    1996-01-01

    A comparison of two methods in the relativistic kinetic theory of the Fermi systems is carried out assuming, as an example, the simplest σω-version of quantum hadrodynamics with allowance for strong mean meson fields. It is shown that the Vlasov-type relativistic kinetic equation (VRKE) obtained by means of the procedure of squaring at an intermediate step is responsible for unphysical features. A direct method of derivation of kinetic equations is proposed. This method does not contain such drawback and gives rise to VRKE in hydrodynamics of a non-contradictory form in which both spin degrees of freedom and states with positive and negative energies are taken into account. 17 refs

  5. Study of crystallization kinetics of peek thermoplastics using Nakamura equation

    Science.gov (United States)

    Chalid, Mochamad; Muhammad Joshua Y., B.; Fikri, Arbi Irsyad; Gregory, Noel; Priadi, Dedi; Fatriansyah, Jaka Fajar

    2018-04-01

    We have simulated the time evolution of relative crystallization of PEEK at various cooling rates (10, 15, 20 °C/min) and made comparison with the experiments. The simulation was conducted using Nakamura model which is a modified Avrami model. The model is a 1 cm radius of circle with the cooling plate which was placed in the upper part of the circle. The cooling plate temperature was varied in order to obtain particular cooling rates. The measurement point is located near upper boundary in order to minimize the heat transfer effect. The general trend of time evolution of crystallization was well captured although some discrepancies occured. These discrepancies may be attributed to the heat transfer effect and secondary crystallization.

  6. A critical look at the kinetic models of thermoluminescence-II. Non-first order kinetics

    International Nuclear Information System (INIS)

    Sunta, C M; Ayta, W E F; Chubaci, J F D; Watanabe, S

    2005-01-01

    Non-first order (FO) kinetics models are of three types; second order (SO), general order (GO) and mixed order (MO). It is shown that all three of these have constraints in their energy level schemes and their applicable parameter values. In nature such restrictions are not expected to exist. The thermoluminescence (TL) glow peaks produced by these models shift their position and change their shape as the trap occupancies change. Such characteristics are very unlike those found in samples of real materials. In these models, in general, retrapping predominates over recombination. It is shown that the quasi-equilibrium (QE) assumption implied in the derivation of the TL equation of these models is quite valid, thus disproving earlier workers' conclusion that QE cannot be held under retrapping dominant conditions. However notwithstanding their validity, they suffer from the shortcomings as stated above and have certain lacunae. For example, the kinetic order (KO) parameter and the pre-exponential factor which are assumed to be the constant parameters of the GO kinetics expression turn out to be variables when this expression is applied to plausible physical models. Further, in glow peak characterization using the GO expression, the quality of fit is found to deteriorate when the best fitted value of KO parameter is different from 1 and 2. This means that the found value of the basic parameter, namely the activation energy, becomes subject to error. In the MO kinetics model, the value of the KO parameter α would change with dose, and thus in this model also, as in the GO model, no single value of KO can be assigned to a given glow peak. The paper discusses TL of real materials having characteristics typically like those of FO kinetics. Theoretically too, a plausible physical model of TL emission produces glow peaks which have characteristics of FO kinetics under a wide variety of parametric combinations. In the background of the above findings, it is suggested that

  7. Interacting multiagent systems kinetic equations and Monte Carlo methods

    CERN Document Server

    Pareschi, Lorenzo

    2014-01-01

    The description of emerging collective phenomena and self-organization in systems composed of large numbers of individuals has gained increasing interest from various research communities in biology, ecology, robotics and control theory, as well as sociology and economics. Applied mathematics is concerned with the construction, analysis and interpretation of mathematical models that can shed light on significant problems of the natural sciences as well as our daily lives. To this set of problems belongs the description of the collective behaviours of complex systems composed by a large enough number of individuals. Examples of such systems are interacting agents in a financial market, potential voters during political elections, or groups of animals with a tendency to flock or herd. Among other possible approaches, this book provides a step-by-step introduction to the mathematical modelling based on a mesoscopic description and the construction of efficient simulation algorithms by Monte Carlo methods. The ar...

  8. Solutions of the chemical kinetic equations for initially inhomogeneous mixtures.

    Science.gov (United States)

    Hilst, G. R.

    1973-01-01

    Following the recent discussions by O'Brien (1971) and Donaldson and Hilst (1972) of the effects of inhomogeneous mixing and turbulent diffusion on simple chemical reaction rates, the present report provides a more extensive analysis of when inhomogeneous mixing has a significant effect on chemical reaction rates. The analysis is then extended to the development of an approximate chemical sub-model which provides much improved predictions of chemical reaction rates over a wide range of inhomogeneities and pathological distributions of the concentrations of the reacting chemical species. In particular, the development of an approximate representation of the third-order correlations of the joint concentration fluctuations permits closure of the chemical sub-model at the level of the second-order moments of these fluctuations and the mean concentrations.

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  10. Ultrafast dynamics of laser-pulse excited semiconductors: non-Markovian quantum kinetic equations with nonequilibrium correlations

    Directory of Open Access Journals (Sweden)

    V.V.Ignatyuk

    2004-01-01

    Full Text Available Non-Markovian kinetic equations in the second Born approximation are derived for a two-zone semiconductor excited by a short laser pulse. Both collision dynamics and running nonequilibrium correlations are taken into consideration. The energy balance and relaxation of the system to equilibrium are discussed. Results of numerical solution of the kinetic equations for carriers and phonons are presented.

  11. Modelling conjugation with stochastic differential equations

    DEFF Research Database (Denmark)

    Philipsen, Kirsten Riber; Christiansen, Lasse Engbo; Hasman, Henrik

    2010-01-01

    Enterococcus faecium strains in a rich exhaustible media. The model contains a new expression for a substrate dependent conjugation rate. A maximum likelihood based method is used to estimate the model parameters. Different models including different noise structure for the system and observations are compared......Conjugation is an important mechanism involved in the transfer of resistance between bacteria. In this article a stochastic differential equation based model consisting of a continuous time state equation and a discrete time measurement equation is introduced to model growth and conjugation of two...... using a likelihood-ratio test and Akaike's information criterion. Experiments indicating conjugation on the agar plates selecting for transconjugants motivates the introduction of an extended model, for which conjugation on the agar plate is described in the measurement equation. This model is compared...

  12. Differential Equations Models to Study Quorum Sensing.

    Science.gov (United States)

    Pérez-Velázquez, Judith; Hense, Burkhard A

    2018-01-01

    Mathematical models to study quorum sensing (QS) have become an important tool to explore all aspects of this type of bacterial communication. A wide spectrum of mathematical tools and methods such as dynamical systems, stochastics, and spatial models can be employed. In this chapter, we focus on giving an overview of models consisting of differential equations (DE), which can be used to describe changing quantities, for example, the dynamics of one or more signaling molecule in time and space, often in conjunction with bacterial growth dynamics. The chapter is divided into two sections: ordinary differential equations (ODE) and partial differential equations (PDE) models of QS. Rates of change are represented mathematically by derivatives, i.e., in terms of DE. ODE models allow describing changes in one independent variable, for example, time. PDE models can be used to follow changes in more than one independent variable, for example, time and space. Both types of models often consist of systems (i.e., more than one equation) of equations, such as equations for bacterial growth and autoinducer concentration dynamics. Almost from the onset, mathematical modeling of QS using differential equations has been an interdisciplinary endeavor and many of the works we revised here will be placed into their biological context.

  13. Kinetic models for irreversible processes on a lattice

    International Nuclear Information System (INIS)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism

  14. Kinetic models for irreversible processes on a lattice

    Energy Technology Data Exchange (ETDEWEB)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.

  15. Combined kinetic and transport modeling of radiofrequency current drive

    International Nuclear Information System (INIS)

    Dumont, R.; Giruzzi, G.; Barbato, E.

    2000-07-01

    A numerical model for predictive simulations of radiofrequency current drive in magnetically confined plasmas is developed. It includes the minimum requirements for a self consistent description of such regimes, i.e., a 3-D ,kinetic equation for the electron distribution function, 1-D heat and current transport equations, and resonant coupling between velocity space and configuration space dynamics, through suitable wave propagation equations. The model finds its full application in predictive studies of complex current profile control scenarios in tokamaks, aiming at the establishment of internal transport barriers by the simultaneous use of various radiofrequency current drive methods. The basic properties of this non-linear numerical system are investigated and illustrated by simulations applied to reversed magnetic shear regimes obtained by Lower Hybrid and Electron Cyclotron current drive for parameters typical of the Tore Supra tokamak. (authors)

  16. Modeling animal movements using stochastic differential equations

    Science.gov (United States)

    Haiganoush K. Preisler; Alan A. Ager; Bruce K. Johnson; John G. Kie

    2004-01-01

    We describe the use of bivariate stochastic differential equations (SDE) for modeling movements of 216 radiocollared female Rocky Mountain elk at the Starkey Experimental Forest and Range in northeastern Oregon. Spatially and temporally explicit vector fields were estimated using approximating difference equations and nonparametric regression techniques. Estimated...

  17. Structural Equation Modeling of Multivariate Time Series

    Science.gov (United States)

    du Toit, Stephen H. C.; Browne, Michael W.

    2007-01-01

    The covariance structure of a vector autoregressive process with moving average residuals (VARMA) is derived. It differs from other available expressions for the covariance function of a stationary VARMA process and is compatible with current structural equation methodology. Structural equation modeling programs, such as LISREL, may therefore be…

  18. Stochastic differential equation model to Prendiville processes

    Energy Technology Data Exchange (ETDEWEB)

    Granita, E-mail: granitafc@gmail.com [Dept. of Mathematical Science, Universiti Teknologi Malaysia, 81310, Johor Malaysia (Malaysia); Bahar, Arifah [Dept. of Mathematical Science, Universiti Teknologi Malaysia, 81310, Johor Malaysia (Malaysia); UTM Center for Industrial & Applied Mathematics (UTM-CIAM) (Malaysia)

    2015-10-22

    The Prendiville process is another variation of the logistic model which assumes linearly decreasing population growth rate. It is a continuous time Markov chain (CTMC) taking integer values in the finite interval. The continuous time Markov chain can be approximated by stochastic differential equation (SDE). This paper discusses the stochastic differential equation of Prendiville process. The work started with the forward Kolmogorov equation in continuous time Markov chain of Prendiville process. Then it was formulated in the form of a central-difference approximation. The approximation was then used in Fokker-Planck equation in relation to the stochastic differential equation of the Prendiville process. The explicit solution of the Prendiville process was obtained from the stochastic differential equation. Therefore, the mean and variance function of the Prendiville process could be easily found from the explicit solution.

  19. Stochastic differential equation model to Prendiville processes

    International Nuclear Information System (INIS)

    Granita; Bahar, Arifah

    2015-01-01

    The Prendiville process is another variation of the logistic model which assumes linearly decreasing population growth rate. It is a continuous time Markov chain (CTMC) taking integer values in the finite interval. The continuous time Markov chain can be approximated by stochastic differential equation (SDE). This paper discusses the stochastic differential equation of Prendiville process. The work started with the forward Kolmogorov equation in continuous time Markov chain of Prendiville process. Then it was formulated in the form of a central-difference approximation. The approximation was then used in Fokker-Planck equation in relation to the stochastic differential equation of the Prendiville process. The explicit solution of the Prendiville process was obtained from the stochastic differential equation. Therefore, the mean and variance function of the Prendiville process could be easily found from the explicit solution

  20. Derivation of a reduced kinetic equation using Lie-transform techniques

    International Nuclear Information System (INIS)

    Brizard, A.

    1991-01-01

    The asymptotic elimination of fast time scales from a general kinetic equation, of the form: ∂ t f+z·∂ x f = C[f], facilitates the study of the long time behavior of its solution f(z,t). Here z describe the single-particle Hamiltonian dynamics and the operator C, which may possess nonlinear functional dependence on f, describes processes (such as discrete-particle effects, resonant wave-particle effects, or effects due to external sources) which cause changes in f as it is convectively transported along a Hamiltonian phase-space trajectory. When a fast time scale is associated with z through the dependence on a fast angle θ (whose frequency θ = Ω satisfies ε ≡ 1/Ωτ much-lt 1, where τ is a slow time scale of interest), a near-identity phase-space transformation T ε :z→Z (carried out with Lie-transform techniques) yields reduced Hamiltonian dynamical equations Z ε which are θ-independent. The corresponding transformed kinetic equation is derived. Averaging this equation over the fast angle θ yields a kinetic equation for left-angle F right-angle, the θ-averaged part of F. In general, the θ-dependence of C ε couples the kinetic equations for left-angle F right-angle and F, the θ-dependent part of F. One solves for the Fourier coefficient F l (associated with e ilθ ) as a functional of left-angle F right-angle. One obtains a reduced kinetic equation for left-angle F right-angle: d R left-angle F right-angle/dt = C R [left-angle F right-angle]. General expressions for C R are given, as well as expressions for the guiding-center and oscillation-center phase-space transformations of a linear Fokker-Planck operator. A discussion of the relationship with Mynick's work is presented

  1. A first course in structural equation modeling

    CERN Document Server

    Raykov, Tenko

    2012-01-01

    In this book, authors Tenko Raykov and George A. Marcoulides introduce students to the basics of structural equation modeling (SEM) through a conceptual, nonmathematical approach. For ease of understanding, the few mathematical formulas presented are used in a conceptual or illustrative nature, rather than a computational one.Featuring examples from EQS, LISREL, and Mplus, A First Course in Structural Equation Modeling is an excellent beginner's guide to learning how to set up input files to fit the most commonly used types of structural equation models with these programs. The basic ideas and methods for conducting SEM are independent of any particular software.Highlights of the Second Edition include: Review of latent change (growth) analysis models at an introductory level Coverage of the popular Mplus program Updated examples of LISREL and EQS A CD that contains all of the text's LISREL, EQS, and Mplus examples.A First Course in Structural Equation Modeling is intended as an introductory book for students...

  2. Partial Differential Equations Modeling and Numerical Simulation

    CERN Document Server

    Glowinski, Roland

    2008-01-01

    This book is dedicated to Olivier Pironneau. For more than 250 years partial differential equations have been clearly the most important tool available to mankind in order to understand a large variety of phenomena, natural at first and then those originating from human activity and technological development. Mechanics, physics and their engineering applications were the first to benefit from the impact of partial differential equations on modeling and design, but a little less than a century ago the Schrödinger equation was the key opening the door to the application of partial differential equations to quantum chemistry, for small atomic and molecular systems at first, but then for systems of fast growing complexity. Mathematical modeling methods based on partial differential equations form an important part of contemporary science and are widely used in engineering and scientific applications. In this book several experts in this field present their latest results and discuss trends in the numerical analy...

  3. Numerical instability of time-discretized one-point kinetic equations

    International Nuclear Information System (INIS)

    Hashimoto, Kengo; Ikeda, Hideaki; Takeda, Toshikazu

    2000-01-01

    The one-point kinetic equations with numerical errors induced by the explicit, implicit and Crank-Nicolson integration methods are derived. The zero-power transfer functions based on the present equations are demonstrated to investigate the numerical stability of the discretized systems. These demonstrations indicate unconditional stability for the implicit and Crank-Nicolson methods but present the possibility of numerical instability for the explicit method. An upper limit of time mesh spacing for the stability is formulated and several numerical calculations are made to confirm the validity of this formula

  4. Structural equation modeling methods and applications

    CERN Document Server

    Wang, Jichuan

    2012-01-01

    A reference guide for applications of SEM using Mplus Structural Equation Modeling: Applications Using Mplus is intended as both a teaching resource and a reference guide. Written in non-mathematical terms, this book focuses on the conceptual and practical aspects of Structural Equation Modeling (SEM). Basic concepts and examples of various SEM models are demonstrated along with recently developed advanced methods, such as mixture modeling and model-based power analysis and sample size estimate for SEM. The statistical modeling program, Mplus, is also featured and provides researchers with a

  5. Stochastic differential equations used to model conjugation

    DEFF Research Database (Denmark)

    Philipsen, Kirsten Riber; Christiansen, Lasse Engbo

    Stochastic differential equations (SDEs) are used to model horizontal transfer of antibiotic resis- tance by conjugation. The model describes the concentration of donor, recipient, transconjugants and substrate. The strength of the SDE model over the traditional ODE models is that the noise can...

  6. Generalized latent variable modeling multilevel, longitudinal, and structural equation models

    CERN Document Server

    Skrondal, Anders; Rabe-Hesketh, Sophia

    2004-01-01

    This book unifies and extends latent variable models, including multilevel or generalized linear mixed models, longitudinal or panel models, item response or factor models, latent class or finite mixture models, and structural equation models.

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

    Science.gov (United States)

    Zhou, Yajun

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

  8. Application of the reactor kinetics equations to the reactor safety analysis

    International Nuclear Information System (INIS)

    Sdouz, G.

    1976-01-01

    The reactor kinetics equations which can be solved by the computer program AIREK-III are used to describe the behavior of fast reactivity transients. By supplementing this computer program it was possible to solve additional safety problems, e.g. the course of reactor excursions induced by any form of reactivity input, the control of reactivity input as a function of a threshold-energy and the computation of produced energy. (author)

  9. Linear causal modeling with structural equations

    CERN Document Server

    Mulaik, Stanley A

    2009-01-01

    Emphasizing causation as a functional relationship between variables that describe objects, Linear Causal Modeling with Structural Equations integrates a general philosophical theory of causation with structural equation modeling (SEM) that concerns the special case of linear causal relations. In addition to describing how the functional relation concept may be generalized to treat probabilistic causation, the book reviews historical treatments of causation and explores recent developments in experimental psychology on studies of the perception of causation. It looks at how to perceive causal

  10. Kinetic models for historical processes of fast invasion and aggression

    Science.gov (United States)

    Aristov, Vladimir V.; Ilyin, Oleg V.

    2015-04-01

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

  11. Application of Littlewood-Paley decomposition to the regularity of Boltzmann type kinetic equations

    International Nuclear Information System (INIS)

    EL Safadi, M.

    2007-03-01

    We study the regularity of kinetic equations of Boltzmann type.We use essentially Littlewood-Paley method from harmonic analysis, consisting mainly in working with dyadics annulus. We shall mainly concern with the homogeneous case, where the solution f(t,x,v) depends only on the time t and on the velocities v, while working with realistic and singular cross-sections (non cutoff). In the first part, we study the particular case of Maxwellian molecules. Under this hypothesis, the structure of the Boltzmann operator and his Fourier transform write in a simple form. We show a global C ∞ regularity. Then, we deal with the case of general cross-sections with 'hard potential'. We are interested in the Landau equation which is limit equation to the Boltzmann equation, taking in account grazing collisions. We prove that any weak solution belongs to Schwartz space S. We demonstrate also a similar regularity for the case of Boltzmann equation. Let us note that our method applies directly for all dimensions, and proofs are often simpler compared to other previous ones. Finally, we finish with Boltzmann-Dirac equation. In particular, we adapt the result of regularity obtained in Alexandre, Desvillettes, Wennberg and Villani work, using the dissipation rate connected with Boltzmann-Dirac equation. (author)

  12. Application of the fractional neutron point kinetic equation: Start-up of a nuclear reactor

    International Nuclear Information System (INIS)

    Polo-Labarrios, M.-A.; Espinosa-Paredes, G.

    2012-01-01

    Highlights: ► Neutron density behavior at reactor start up with fractional neutron point kinetics. ► There is a relaxation time associated with a rapid variation in the neutron flux. ► Physical interpretation of the fractional order is related with non-Fickian effects. ► Effect of the anomalous diffusion coefficient and the relaxation time is analyzed. ► Neutron density is related with speed and duration of the control rods lifting. - Abstract: In this paper we present the behavior of the variation of neutron density when the nuclear reactor power is increased using the fractional neutron point kinetic (FNPK) equation with a single-group of delayed neutron precursor. It is considered that there is a relaxation time associated with a rapid variation in the neutron flux and its physical interpretation of the fractional order is related with non-Fickian effects from the neutron diffusion equation point of view. We analyzed the case of increase the nuclear reactor power when reactor is cold start-up which is a process of inserting reactivity by lifting control rods discontinuously. The results show that for short time scales of the start-up the neutronic density behavior with FNPK shows sub-diffusive effects whose absorption are government by control rods velocity. For large times scale, the results shows that the classical equation of the neutron point kinetics over predicted the neutron density regarding to FNPK.

  13. Study of carbon dioxide gas treatment based on equations of kinetics in plasma discharge reactor

    Science.gov (United States)

    Abedi-Varaki, Mehdi

    2017-08-01

    Carbon dioxide (CO2) as the primary greenhouse gas, is the main pollutant that is warming earth. CO2 is widely emitted through the cars, planes, power plants and other human activities that involve the burning of fossil fuels (coal, natural gas and oil). Thus, there is a need to develop some method to reduce CO2 emission. To this end, this study investigates the behavior of CO2 in dielectric barrier discharge (DBD) plasma reactor. The behavior of different species and their reaction rates are studied using a zero-dimensional model based on equations of kinetics inside plasma reactor. The results show that the plasma reactor has an effective reduction on the CO2 density inside the reactor. As a result of reduction in the temporal variations of reaction rate, the speed of chemical reactions for CO2 decreases and very low concentration of CO2 molecules inside the plasma reactor is generated. The obtained results are compared with the existing experimental and simulation findings in the literature.

  14. Treatment of polymer surfaces in plasma Part I. Kinetic model

    International Nuclear Information System (INIS)

    Tabaliov, N A; Svirachev, D M

    2006-01-01

    The surface tension of the polymer materials depends on functional groups over its surface. As a result from the plasma treatment the kind and concentration of the functional groups can be changed. In the present work, the possible kinetic reactions are defined. They describe the interaction between the plasma and the polymer surface of polyethylene terephthalate (PET). Basing on these reactions, the systems of differential kinetic equations are suggested. The solutions are obtained analytically for the system kinetic equations at defined circumstances

  15. Thermodynamic and kinetic modelling: creep resistant materials

    DEFF Research Database (Denmark)

    Hald, John; Korcakova, L.; Danielsen, Hilmar Kjartansson

    2008-01-01

    The use of thermodynamic and kinetic modelling of microstructure evolution in materials exposed to high temperatures in power plants is demonstrated with two examples. Precipitate stability in martensitic 9–12%Cr steels is modelled including equilibrium phase stability, growth of Laves phase part...

  16. Modeling and Prediction Using Stochastic Differential Equations

    DEFF Research Database (Denmark)

    Juhl, Rune; Møller, Jan Kloppenborg; Jørgensen, John Bagterp

    2016-01-01

    Pharmacokinetic/pharmakodynamic (PK/PD) modeling for a single subject is most often performed using nonlinear models based on deterministic ordinary differential equations (ODEs), and the variation between subjects in a population of subjects is described using a population (mixed effects) setup...... deterministic and can predict the future perfectly. A more realistic approach would be to allow for randomness in the model due to e.g., the model be too simple or errors in input. We describe a modeling and prediction setup which better reflects reality and suggests stochastic differential equations (SDEs...

  17. Kinetics model of bainitic transformation with stress

    Science.gov (United States)

    Zhou, Mingxing; Xu, Guang; Hu, Haijiang; Yuan, Qing; Tian, Junyu

    2018-01-01

    Thermal simulations were conducted on a Gleeble 3800 simulator. The main purpose is to investigate the effects of stress on the kinetics of bainitic transformation in a Fe-C-Mn-Si advanced high strength bainitic steel. Previous studies on modeling the kinetics of stress affected bainitic transformation only considered the stress below the yield strength of prior austenite. In the present study, the stress above the yield strength of prior austenite is taken into account. A new kinetics model of bainitic transformation dependent on the stress (including the stresses below and above the yield strength of prior austenite) and the transformation temperature is proposed. The new model presents a good agreement with experimental results. In addition, it is found that the acceleration degree of stress on bainitic transformation increases with the stress whether its magnitude is below or above the yield strength of austenite, but the increasing rate gradually slows down when the stress is above the yield strength of austenite.

  18. Study and discretization of kinetic models and fluid models at low Mach number

    International Nuclear Information System (INIS)

    Dellacherie, Stephane

    2011-01-01

    This thesis summarizes our work between 1995 and 2010. It concerns the analysis and the discretization of Fokker-Planck or semi-classical Boltzmann kinetic models and of Euler or Navier-Stokes fluid models at low Mach number. The studied Fokker-Planck equation models the collisions between ions and electrons in a hot plasma, and is here applied to the inertial confinement fusion. The studied semi-classical Boltzmann equations are of two types. The first one models the thermonuclear reaction between a deuterium ion and a tritium ion producing an α particle and a neutron particle, and is also in our case used to describe inertial confinement fusion. The second one (known as the Wang-Chang and Uhlenbeck equations) models the transitions between electronic quantified energy levels of uranium and iron atoms in the AVLIS isotopic separation process. The basic properties of these two Boltzmann equations are studied, and, for the Wang-Chang and Uhlenbeck equations, a kinetic-fluid coupling algorithm is proposed. This kinetic-fluid coupling algorithm incited us to study the relaxation concept for gas and immiscible fluids mixtures, and to underline connections with classical kinetic theory. Then, a diphasic low Mach number model without acoustic waves is proposed to model the deformation of the interface between two immiscible fluids induced by high heat transfers at low Mach number. In order to increase the accuracy of the results without increasing computational cost, an AMR algorithm is studied on a simplified interface deformation model. These low Mach number studies also incited us to analyse on cartesian meshes the inaccuracy at low Mach number of Godunov schemes. Finally, the LBM algorithm applied to the heat equation is justified

  19. Chemical Kinetic Models for Advanced Engine Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehl, Marco [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Westbrook, Charles K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-22

    The objectives for this project are as follows: Develop detailed chemical kinetic models for fuel components used in surrogate fuels for compression ignition (CI), homogeneous charge compression ignition (HCCI) and reactivity-controlled compression-ignition (RCCI) engines; and Combine component models into surrogate fuel models to represent real transportation fuels. Use them to model low-temperature combustion strategies in HCCI, RCCI, and CI engines that lead to low emissions and high efficiency.

  20. Multiplicity Control in Structural Equation Modeling

    Science.gov (United States)

    Cribbie, Robert A.

    2007-01-01

    Researchers conducting structural equation modeling analyses rarely, if ever, control for the inflated probability of Type I errors when evaluating the statistical significance of multiple parameters in a model. In this study, the Type I error control, power and true model rates of famsilywise and false discovery rate controlling procedures were…

  1. Kinetic and thermodynamic modelling of TBP synthesis processes

    International Nuclear Information System (INIS)

    Azzouz, A.; Attou, M.

    1989-02-01

    The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes

  2. A model unified field equation

    International Nuclear Information System (INIS)

    Perring, J.K.; Skyrme, T.H.R.

    1994-01-01

    The classical solutions of a unified field theory in a two-dimensional space-time are considered. This system, a model of a interacting mesons and baryons, illustrates how the particle can be built from a wave-packet of mesons and how reciprocally the meson appears as a tightly bound combination of particle and antiparticle. (author). 6 refs

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-07-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  5. Magnetoresistance in organic semiconductors: Including pair correlations in the kinetic equations for hopping transport

    Science.gov (United States)

    Shumilin, A. V.; Kabanov, V. V.; Dediu, V. I.

    2018-03-01

    We derive kinetic equations for polaron hopping in organic materials that explicitly take into account the double occupation possibility and pair intersite correlations. The equations include simplified phenomenological spin dynamics and provide a self-consistent framework for the description of the bipolaron mechanism of the organic magnetoresistance. At low applied voltages, the equations can be reduced to those for an effective resistor network that generalizes the Miller-Abrahams network and includes the effect of spin relaxation on the system resistivity. Our theory discloses the close relationship between the organic magnetoresistance and the intersite correlations. Moreover, in the absence of correlations, as in an ordered system with zero Hubbard energy, the magnetoresistance vanishes.

  6. Non-relativistic and relativistic quantum kinetic equations in nuclear physics

    International Nuclear Information System (INIS)

    Botermans, W.M.M.

    1989-01-01

    In this thesis an attempt is made to draw up a quantummechanical tranport equation for the explicit calculation oof collision processes between two (heavy) ions, by making proper approaches of the exact equations (non-rel.: N-particles Schroedinger equation; rel.: Euler-Lagrange field equations.). An important starting point in the drag-up of the theory is the behaviour of nuclear matter in equilibrium which is determined by individual as well as collective effects. The central point in this theory is the effective interaction between two nucleons both surrounded by other nucleons. In the derivation of the tranport equations use is made of the green's function formalism as developed by Schwinger and Keldys. For the Green's function kinematic equations are drawn up and are solved by choosing a proper factorization of three- and four-particle Green's functions in terms of one- and two-particle Green's functions. The necessary boundary condition is obtained by explicitly making use of Boltzmann's assumption that colliding particles are statistically uncorrelated. Finally a transport equation is obtained in which the mean field as well as the nucleon-nucleon collisions are given by the same (medium dependent) interaction. This interaction is the non-equilibrium extension of the interaction as given in the Brueckner theory of nuclear matter. Together, kinetic equation and interaction, form a self-consistent set of equations for the case of a non-relativistic as well as for the case of a relativistic starting point. (H.W.) 148 refs.; 6 figs.; 411 schemes

  7. Differential equation models for sharp threshold dynamics.

    Science.gov (United States)

    Schramm, Harrison C; Dimitrov, Nedialko B

    2014-01-01

    We develop an extension to differential equation models of dynamical systems to allow us to analyze probabilistic threshold dynamics that fundamentally and globally change system behavior. We apply our novel modeling approach to two cases of interest: a model of infectious disease modified for malware where a detection event drastically changes dynamics by introducing a new class in competition with the original infection; and the Lanchester model of armed conflict, where the loss of a key capability drastically changes the effectiveness of one of the sides. We derive and demonstrate a step-by-step, repeatable method for applying our novel modeling approach to an arbitrary system, and we compare the resulting differential equations to simulations of the system's random progression. Our work leads to a simple and easily implemented method for analyzing probabilistic threshold dynamics using differential equations. Published by Elsevier Inc.

  8. On an analytical formulation for the mono-energetic neutron space-kinetic equation in full cylinder symmetry

    International Nuclear Information System (INIS)

    Oliveira, F.R.; Bodmann, B.E.J.; Vilhena, M.T.; Carvalho, F.

    2017-01-01

    Highlights: • The present work presents an exact solution to neutron spatial kinetic equation. • It is an exact solution in a heterogeneous cylinder with temporal dependence. • The solution was constructed through the separation of variables method. - Abstract: In the present work we discuss a system of partial differential equations that model neutron space-kinetics in cylindrical geometry and are defined by two sectionally homogeneous cylinder cells, mono-energetic neutrons and one group of delayed neutron precursors. The solution is determined using the technique of variable separation. The associated complete spectra with respect to each variable separation are analysed and truncated such as to allow a parameterized global solution. For the obtained solution we present some numerical results for the scalar neutron flux and its time dependence and projection on the cylinder axis z and the radial and cylinder axis projection. As a case study we consider an insertion of an absorbing medium in the upper cylinder cell. Continuity of the scalar flux at the interface between the two cylinder elements and conserved current density is explained and related to scale invariance of the partial differential equation system together with the initial and boundary conditions. Some numerical results for the scalar angular neutron flux and associated current densities are shown.

  9. A Kinetic Model Describing Injury-Burden in Team Sports.

    Science.gov (United States)

    Fuller, Colin W

    2017-12-01

    Injuries in team sports are normally characterised by the incidence, severity, and location and type of injuries sustained: these measures, however, do not provide an insight into the variable injury-burden experienced during a season. Injury burden varies according to the team's match and training loads, the rate at which injuries are sustained and the time taken for these injuries to resolve. At the present time, this time-based variation of injury burden has not been modelled. To develop a kinetic model describing the time-based injury burden experienced by teams in elite team sports and to demonstrate the model's utility. Rates of injury were quantified using a large eight-season database of rugby injuries (5253) and exposure (60,085 player-match-hours) in English professional rugby. Rates of recovery from injury were quantified using time-to-recovery analysis of the injuries. The kinetic model proposed for predicting a team's time-based injury burden is based on a composite rate equation developed from the incidence of injury, a first-order rate of recovery from injury and the team's playing load. The utility of the model was demonstrated by examining common scenarios encountered in elite rugby. The kinetic model developed describes and predicts the variable injury-burden arising from match play during a season of rugby union based on the incidence of match injuries, the rate of recovery from injury and the playing load. The model is equally applicable to other team sports and other scenarios.

  10. Kinetics approach to modeling of polymer additive degradation in lubricants

    Institute of Scientific and Technical Information of China (English)

    llyaI.KUDISH; RubenG.AIRAPETYAN; Michael; J.; COVITCH

    2001-01-01

    A kinetics problem for a degrading polymer additive dissolved in a base stock is studied.The polymer degradation may be caused by the combination of such lubricant flow parameters aspressure, elongational strain rate, and temperature as well as lubricant viscosity and the polymercharacteristics (dissociation energy, bead radius, bond length, etc.). A fundamental approach tothe problem of modeling mechanically induced polymer degradation is proposed. The polymerdegradation is modeled on the basis of a kinetic equation for the density of the statistical distribu-tion of polymer molecules as a function of their molecular weight. The integrodifferential kineticequation for polymer degradation is solved numerically. The effects of pressure, elongational strainrate, temperature, and lubricant viscosity on the process of lubricant degradation are considered.The increase of pressure promotes fast degradation while the increase of temperature delaysdegradation. A comparison of a numerically calculated molecular weight distribution with an ex-perimental one obtained in bench tests showed that they are in excellent agreement with eachother.

  11. A third-order gas-kinetic CPR method for the Euler and Navier-Stokes equations on triangular meshes

    Science.gov (United States)

    Zhang, Chao; Li, Qibing; Fu, Song; Wang, Z. J.

    2018-06-01

    A third-order accurate gas-kinetic scheme based on the correction procedure via reconstruction (CPR) framework is developed for the Euler and Navier-Stokes equations on triangular meshes. The scheme combines the accuracy and efficiency of the CPR formulation with the multidimensional characteristics and robustness of the gas-kinetic flux solver. Comparing with high-order finite volume gas-kinetic methods, the current scheme is more compact and efficient by avoiding wide stencils on unstructured meshes. Unlike the traditional CPR method where the inviscid and viscous terms are treated differently, the inviscid and viscous fluxes in the current scheme are coupled and computed uniformly through the kinetic evolution model. In addition, the present scheme adopts a fully coupled spatial and temporal gas distribution function for the flux evaluation, achieving high-order accuracy in both space and time within a single step. Numerical tests with a wide range of flow problems, from nearly incompressible to supersonic flows with strong shocks, for both inviscid and viscous problems, demonstrate the high accuracy and efficiency of the present scheme.

  12. Solving kinetic equations with adaptive mesh in phase space for rarefied gas dynamics and plasma physics (Invited)

    International Nuclear Information System (INIS)

    Kolobov, Vladimir; Arslanbekov, Robert; Frolova, Anna

    2014-01-01

    The paper describes an Adaptive Mesh in Phase Space (AMPS) technique for solving kinetic equations with deterministic mesh-based methods. The AMPS technique allows automatic generation of adaptive Cartesian mesh in both physical and velocity spaces using a Tree-of-Trees data structure. We illustrate advantages of AMPS for simulations of rarefied gas dynamics and electron kinetics on low temperature plasmas. In particular, we consider formation of the velocity distribution functions in hypersonic flows, particle kinetics near oscillating boundaries, and electron kinetics in a radio-frequency sheath. AMPS provide substantial savings in computational cost and increased efficiency of the mesh-based kinetic solvers

  13. Solving kinetic equations with adaptive mesh in phase space for rarefied gas dynamics and plasma physics (Invited)

    Energy Technology Data Exchange (ETDEWEB)

    Kolobov, Vladimir [CFD Research Corporation, Huntsville, AL 35805, USA and The University of Alabama in Huntsville, Huntsville, AL 35805 (United States); Arslanbekov, Robert [CFD Research Corporation, Huntsville, AL 35805 (United States); Frolova, Anna [Computing Center of the Russian Academy of Sciences, Moscow, 119333 (Russian Federation)

    2014-12-09

    The paper describes an Adaptive Mesh in Phase Space (AMPS) technique for solving kinetic equations with deterministic mesh-based methods. The AMPS technique allows automatic generation of adaptive Cartesian mesh in both physical and velocity spaces using a Tree-of-Trees data structure. We illustrate advantages of AMPS for simulations of rarefied gas dynamics and electron kinetics on low temperature plasmas. In particular, we consider formation of the velocity distribution functions in hypersonic flows, particle kinetics near oscillating boundaries, and electron kinetics in a radio-frequency sheath. AMPS provide substantial savings in computational cost and increased efficiency of the mesh-based kinetic solvers.

  14. Modeling capsid kinetics assembly from the steady state distribution of multi-sizes aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Hozé, Nathanaël; Holcman, David

    2014-01-24

    The kinetics of aggregation for particles of various sizes depends on their diffusive arrival and fusion at a specific nucleation site. We present here a mean-field approximation and a stochastic jump model for aggregates at equilibrium. This approach is an alternative to the classical Smoluchowski equations that do not have a close form and are not solvable in general. We analyze these mean-field equations and obtain the kinetics of a cluster formation. Our approach provides a simplified theoretical framework to study the kinetics of viral capsid formation, such as HIV from the self-assembly of the structural proteins Gag.

  15. Kinetic modeling of reactions in Foods

    NARCIS (Netherlands)

    Boekel, van M.A.J.S.

    2008-01-01

    The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Kinetic Modeling of Reactions in Foods demonstrates how to

  16. A MODEL FOR POSTRADIATION STEM CELL KINETICS,

    Science.gov (United States)

    In polycythemic rats observed for 17 days postradiation (300 R, 250 KVP X-rays) it was noted that stem cell release diminished to 8 percent of the...correlate these findings with a kinetic model of erythropoiesis. It was suggested that the initial depression in stem cell release might be due to cellular

  17. Kinetic Models for Topological Nearest-Neighbor Interactions

    Science.gov (United States)

    Blanchet, Adrien; Degond, Pierre

    2017-12-01

    We consider systems of agents interacting through topological interactions. These have been shown to play an important part in animal and human behavior. Precisely, the system consists of a finite number of particles characterized by their positions and velocities. At random times a randomly chosen particle, the follower, adopts the velocity of its closest neighbor, the leader. We study the limit of a system size going to infinity and, under the assumption of propagation of chaos, show that the limit kinetic equation is a non-standard spatial diffusion equation for the particle distribution function. We also study the case wherein the particles interact with their K closest neighbors and show that the corresponding kinetic equation is the same. Finally, we prove that these models can be seen as a singular limit of the smooth rank-based model previously studied in Blanchet and Degond (J Stat Phys 163:41-60, 2016). The proofs are based on a combinatorial interpretation of the rank as well as some concentration of measure arguments.

  18. Kinetic mechanism for modeling of electrochemical reactions.

    Science.gov (United States)

    Cervenka, Petr; Hrdlička, Jiří; Přibyl, Michal; Snita, Dalimil

    2012-04-01

    We propose a kinetic mechanism of electrochemical interactions. We assume fast formation and recombination of electron donors D- and acceptors A+ on electrode surfaces. These mediators are continuously formed in the electrode matter by thermal fluctuations. The mediators D- and A+, chemically equivalent to the electrode metal, enter electrochemical interactions on the electrode surfaces. Electrochemical dynamics and current-voltage characteristics of a selected electrochemical system are studied. Our results are in good qualitative agreement with those given by the classical Butler-Volmer kinetics. The proposed model can be used to study fast electrochemical processes in microsystems and nanosystems that are often out of the thermal equilibrium. Moreover, the kinetic mechanism operates only with the surface concentrations of chemical reactants and local electric potentials, which facilitates the study of electrochemical systems with indefinable bulk.

  19. Development of a low Reynolds number turbulence stress and heat flux equation model. A new type wall boundary condition for dissipation rate of turbulent kinetic energy aided by DNS data base

    International Nuclear Information System (INIS)

    Nishimura, M.

    1998-04-01

    To predict thermal-hydraulic phenomena in actual plant under various conditions accurately, adequate simulation of laminar-turbulent flow transition is of importance. A low Reynolds number turbulence model is commonly used for a numerical simulation of the laminar-turbulent transition. The existing low Reynolds number turbulence models generally demands very thin mesh width between a wall and a first computational node from the wall, to keep accuracy and stability of numerical analyses. There is a criterion for the distance between the wall and the first computational node in which non-dimensional distance y + must be less than 0.5. Due to this criterion the suitable distance depends on Reynolds number. A liquid metal sodium is used for a coolant in first reactors therefore, Reynolds number is usually one or two order higher than that of the usual plants in which air and water are used for the work fluid. This makes the load of thermal-hydraulic numerical simulation of the liquid sodium relatively heavier. From above context, a new method is proposed for providing wall boundary condition of turbulent kinetic energy dissipation rate ε. The present method enables the wall-first node distance 10 times larger compared to the existing models. A function of the ε wall boundary condition has been constructed aided by a direct numerical simulation (DNS) data base. The method was validated through calculations of a turbulent Couette flow and a fully developed pipe flow and its laminar-turbulent transition. Thus the present method and modeling are capable of predicting the laminar-turbulent transition with less mesh numbers i.e. lighter computational loads. (J.P.N.)

  20. An asymptotic preserving unified gas kinetic scheme for frequency-dependent radiative transfer equations

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Wenjun, E-mail: sun_wenjun@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Jiang, Song, E-mail: jiang@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Hong Kong (China); Li, Shu, E-mail: li_shu@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China)

    2015-12-01

    This paper presents an extension of previous work (Sun et al., 2015 [22]) of the unified gas kinetic scheme (UGKS) for the gray radiative transfer equations to the frequency-dependent (multi-group) radiative transfer system. Different from the gray radiative transfer equations, where the optical opacity is only a function of local material temperature, the simulation of frequency-dependent radiative transfer is associated with additional difficulties from the frequency-dependent opacity. For the multiple frequency radiation, the opacity depends on both the spatial location and the frequency. For example, the opacity is typically a decreasing function of frequency. At the same spatial region the transport physics can be optically thick for the low frequency photons, and optically thin for high frequency ones. Therefore, the optical thickness is not a simple function of space location. In this paper, the UGKS for frequency-dependent radiative system is developed. The UGKS is a finite volume method and the transport physics is modeled according to the ratio of the cell size to the photon's frequency-dependent mean free path. When the cell size is much larger than the photon's mean free path, a diffusion solution for such a frequency radiation will be obtained. On the other hand, when the cell size is much smaller than the photon's mean free path, a free transport mechanism will be recovered. In the regime between the above two limits, with the variation of the ratio between the local cell size and photon's mean free path, the UGKS provides a smooth transition in the physical and frequency space to capture the corresponding transport physics accurately. The seemingly straightforward extension of the UGKS from the gray to multiple frequency radiation system is due to its intrinsic consistent multiple scale transport modeling, but it still involves lots of work to properly discretize the multiple groups in order to design an asymptotic preserving (AP

  1. Kinetics model development of cocoa bean fermentation

    Science.gov (United States)

    Kresnowati, M. T. A. P.; Gunawan, Agus Yodi; Muliyadini, Winny

    2015-12-01

    Although Indonesia is one of the biggest cocoa beans producers in the world, Indonesian cocoa beans are oftenly of low quality and thereby frequently priced low in the world market. In order to improve the quality, adequate post-harvest cocoa processing techniques are required. Fermentation is the vital stage in series of cocoa beans post harvest processing which could improve the quality of cocoa beans, in particular taste, aroma, and colours. During the fermentation process, combination of microbes grow producing metabolites that serve as the precursors for cocoa beans flavour. Microbial composition and thereby their activities will affect the fermentation performance and influence the properties of cocoa beans. The correlation could be reviewed using a kinetic model that includes unstructured microbial growth, substrate utilization and metabolic product formation. The developed kinetic model could be further used to design cocoa bean fermentation process to meet the expected quality. Further the development of kinetic model of cocoa bean fermentation also serve as a good case study of mixed culture solid state fermentation, that has rarely been studied. This paper presents the development of a kinetic model for solid-state cocoa beans fermentation using an empirical approach. Series of lab scale cocoa bean fermentations, either natural fermentations without starter addition or fermentations with mixed yeast and lactic acid bacteria starter addition, were used for model parameters estimation. The results showed that cocoa beans fermentation can be modelled mathematically and the best model included substrate utilization, microbial growth, metabolites production and its transport. Although the developed model still can not explain the dynamics in microbial population, this model can sufficiently explained the observed changes in sugar concentration as well as metabolic products in the cocoa bean pulp.

  2. AIREK-MOD, Time Dependent Reactor Kinetics with Feedback Differential Equation

    International Nuclear Information System (INIS)

    Tamagnini, C.

    1984-01-01

    1 - Nature of physical problem solved: Solves the reactor kinetic equations with respect to time. A standard form for the reactivity behaviour has been introduced in which the reactivity is given by the sum of a polynomial, sine, cosine and exponential expansion. Tabular form is also included. The presence of feedback differential equations in which the dependence on variables different from the considered one is considered enables many heat-exchange problems to be dealt with. 2 - Method of solution: The method employed for the solution of the differential equations is the one developed by E.R. Cohen (Geneva Conference, 1958). 3 - Restrictions on the complexity of the problem: The maximum number of differential equations that can be solved simultaneously is 50. Within this limitation there may be n delayed neutron groups (n less than or equal to 25), on m other linear feedback equations (n+m less than or equal to 49). CDC 1604 version was offered by EIR (Institut Federal de Recherches en matiere de reacteurs, Switzerland)

  3. Application of Elovich equation on uptake kinetics of 137Cs by living freshwater macrophytes - a short duration laboratory study

    International Nuclear Information System (INIS)

    Jaison, T.J.; Patra, A.K.; Ravi, P.M.; Tripathi, R.M.

    2014-01-01

    Application of Elovich equation on uptake kinetics of 137 Cs by two living macrophytes during controlled experiments on short duration exposure is studied. Compliance to 2 nd order kinetics indicates the mechanism could be chemi-sorption, involving polar functional groups present on the extracelluar surface of the macrophytes. Data analysis suggests that Myriophyllum s. exhibits faster adsorption rate than Hydrilla v. As Myriophyllum s. exhibits better kinetics than Hydrilla v., former could be a better natural adsorbing media for 137 Cs. (author)

  4. Gyrofluid turbulence models with kinetic effects

    International Nuclear Information System (INIS)

    Dorland, W.; Hammett, G.W.

    1992-12-01

    Nonlinear gyrofluid equations are derived by taking moments of the nonlinear, electrostatic gyrokinetic equation. The principal model presented includes evolution equations for the guiding center n, u parallel, T parallel, and T perpendicular along with an equation expressing the quasineutrality constraint. Additional evolution equations for higher moments are derived which may be used if greater accuracy is desired. The moment hierarchy is closed with a Landau-damping model which is equivalent to a multi-pole approximation to the plasma dispersion function, extended to include finite Larmor radius effects. In particular, new dissipative, nonlinear terms are found which model the perpendicular phase-mixing of the distribution function along contours of constant electrostatic potential. These ''FLR phase-mixing'' terms introduce a hyperviscosity-like damping ∝ k perpendicular 2 |Φ rvec k rvec k x rvec k'| which should provide a physics-based damping mechanism at high k perpendicular ρ which is potentially as important as the usual polarization drift nonlinearity. The moments are taken in guiding center space to pick up the correct nonlinear FLR terms and the gyroaveraging of the shear. The equations are solved with a nonlinear, three dimensional initial value code. Linear results are presented, showing excellent agreement with linear gyrokinetic theory

  5. Kinetic equations and fluctuations in μspace of one-component dilute plasmas

    International Nuclear Information System (INIS)

    Tokuyama, Michio; Mori, Hazime

    1977-01-01

    Kinetic equations for a spatially coarse-grained electron density in μ phase space A(p, r; t) with a length cutoff b and for its fluctuations are studied by a scaling method and a time-convolutionless approach developed by the present authors. An electron gas with a small plasma parameter epsilon=1/c (lambda sub(D)) 3 has three characteristic lengths; the Landau cutoff r sub(L)=epsilon lambda sub(D), the Debye length lambda sub(D)=√k sub(B)T/4πe 2 c and the mean free path l sub(f)=lambda sub(D)/epsilon, e and c being electronic charge and mean electron density, respectively. It is shown that there are two characteristic regions of the length cutoff b. One is a coherent region where r sub(L)<< b<< lambda sub(D). Its characteristic scaling is c→0, b→infinity, t→infinity with b√c and t√c being kept constant. The Vlasov equation is derived in this limit. The other is a kinetic region where lambda sub(D)<< b<< l sub(f). Its characteristic scaling is c→0, b→infinity, t→infinity with bc and tc being kept constant. The Vlasov term disappears and the Balescu-Lenard-Boltzmann-Landau equation, which is free of divergence for both close and distant collisions, is derived in this limit. It is shown that the fluctuations of A(p, r; t) obey a Markov process with scaling exponents α=0, β=1/2 in the coherent region near thermal equilibrium, while they obey a Gaussian Markov process with α=0, β=1 in the kinetic region. The present theory does not need the factorization ansatz and Bogoliubov's functional ansatz. (auth.)

  6. Compartmental modeling and tracer kinetics

    CERN Document Server

    Anderson, David H

    1983-01-01

    This monograph is concerned with mathematical aspects of compartmental an­ alysis. In particular, linear models are closely analyzed since they are fully justifiable as an investigative tool in tracer experiments. The objective of the monograph is to bring the reader up to date on some of the current mathematical prob­ lems of interest in compartmental analysis. This is accomplished by reviewing mathematical developments in the literature, especially over the last 10-15 years, and by presenting some new thoughts and directions for future mathematical research. These notes started as a series of lectures that I gave while visiting with the Division of Applied ~1athematics, Brown University, 1979, and have developed in­ to this collection of articles aimed at the reader with a beginning graduate level background in mathematics. The text can be used as a self-paced reading course. With this in mind, exercises have been appropriately placed throughout the notes. As an aid in reading the material, the e~d of a ...

  7. Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.

    Science.gov (United States)

    Capolupo, A; Giampaolo, S M; Illuminati, F

    2013-10-01

    Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments.

  8. Microscopic theory of warm ionized gases: equation of state and kinetic Schottky anomaly

    International Nuclear Information System (INIS)

    Capolupo, A; Giampaolo, S M; Illuminati, F

    2013-01-01

    Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.

  9. Simulation of light generation in cholesteric liquid crystals using kinetic equations: Time-independent solution

    Energy Technology Data Exchange (ETDEWEB)

    Shtykov, N. M., E-mail: nshtykov@mail.ru; Palto, S. P.; Umanskii, B. A. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2013-08-15

    We report on the results of calculating the conditions for light generation in cholesteric liquid crystals doped with fluorescent dyes using kinetic equations. Specific features of spectral properties of the chiral cholesteric medium as a photonic structure and spatially distributed type of the feedback in the active medium are taken into account. The expression is derived for the threshold pump radiation intensity as a function of the dye concentration and sample thickness. The importance of taking into account the distributed loss level in the active medium for calculating the optimal parameters of the medium and for matching the calculated values with the results of experiments is demonstrated.

  10. Kinetic model for transformation from nano-sized amorphous $TiO_2$ to anatase

    OpenAIRE

    Madras, Giridhar; McCoy, Benjamin J

    2006-01-01

    We propose a kinetic model for the transformation of nano-sized amorphous $TiO_2$ to anatase with associated coarsening by coalescence. Based on population balance (distribution kinetics) equations for the size distributions, the model applies a first-order rate expression for transformation combined with Smoluchowski coalescence for the coarsening particles. Size distribution moments (number and mass of particles) lead to dynamic expressions for extent of reaction and average anatase particl...

  11. The quasi-invariant limit for a kinetic model of sociological collective behavior

    OpenAIRE

    Boudin , Laurent; Salvarani , Francesco

    2009-01-01

    International audience; The paper is devoted to the study of the asymptotic behaviour of a kinetic model proposed to forecast the phenomenon of opinion formation, with both effect of self-thinking and compromise between individuals. By supposing that the effects of self-thinking and compromise are very weak, we deduce, asymptotically, some simpler models who lose the kinetic structure. We explicitly characterize the asymptotic state of the limiting equation and study the speed of convergence ...

  12. Advanced structural equation modeling issues and techniques

    CERN Document Server

    Marcoulides, George A

    2013-01-01

    By focusing primarily on the application of structural equation modeling (SEM) techniques in example cases and situations, this book provides an understanding and working knowledge of advanced SEM techniques with a minimum of mathematical derivations. The book was written for a broad audience crossing many disciplines, assumes an understanding of graduate level multivariate statistics, including an introduction to SEM.

  13. Simulation of styrene polymerization reactors: kinetic and thermodynamic modeling

    Directory of Open Access Journals (Sweden)

    A. S. Almeida

    2008-06-01

    Full Text Available A mathematical model for the free radical polymerization of styrene is developed to predict the steady-state and dynamic behavior of a continuous process. Special emphasis is given for the kinetic and thermodynamic models, where the most sensitive parameters were estimated using data from an industrial plant. The thermodynamic model is based on a cubic equation of state and a mixing rule applied to the low-pressure vapor-liquid equilibrium of polymeric solutions, suitable for modeling the auto-refrigerated polymerization reactors, which use the vaporization rate to remove the reaction heat from the exothermic reactions. The simulation results show the high predictive capability of the proposed model when compared with plant data for conversion, average molecular weights, polydispersity, melt flow index, and thermal properties for different polymer grades.

  14. MODELING STYRENE HYDROGENATION KINETICS USING PALLADIUM CATALYSTS

    Directory of Open Access Journals (Sweden)

    G. T. Justino

    Full Text Available Abstract The high octane number of pyrolysis gasoline (PYGAS explains its insertion in the gasoline pool. However, its use is troublesome due to the presence of gum-forming chemicals which, in turn, can be removed via hydrogenation. The use of Langmuir-Hinshelwood kinetic models was evaluated for hydrogenation of styrene, a typical gum monomer, using Pd/9%Nb2O5-Al2O3 as catalyst. Kinetic models accounting for hydrogen dissociative and non-dissociative adsorption were considered. The availability of one or two kinds of catalytic sites was analyzed. Experiments were carried out in a semi-batch reactor at constant temperature and pressure in the absence of transport limitations. The conditions used in each experiment varied between 16 - 56 bar and 60 - 100 ºC for pressure and temperature, respectively. The kinetic models were evaluated using MATLAB and EMSO software. Models using adsorption of hydrogen and organic molecules on the same type of site fitted the data best.

  15. Point kinetics model with one-dimensional (radial) heat conduction formalism

    International Nuclear Information System (INIS)

    Jain, V.K.

    1989-01-01

    A point-kinetics model with one-dimensional (radial) heat conduction formalism has been developed. The heat conduction formalism is based on corner-mesh finite difference method. To get average temperatures in various conducting regions, a novel weighting scheme has been devised. The heat conduction model has been incorporated in the point-kinetics code MRTF-FUEL. The point-kinetics equations are solved using the method of real integrating factors. It has been shown by analysing the simulation of hypothetical loss of regulation accident in NAPP reactor that the model is superior to the conventional one in accuracy and speed of computation. (author). 3 refs., 3 tabs

  16. Kinetic models of gene expression including non-coding RNAs

    Energy Technology Data Exchange (ETDEWEB)

    Zhdanov, Vladimir P., E-mail: zhdanov@catalysis.r

    2011-03-15

    In cells, genes are transcribed into mRNAs, and the latter are translated into proteins. Due to the feedbacks between these processes, the kinetics of gene expression may be complex even in the simplest genetic networks. The corresponding models have already been reviewed in the literature. A new avenue in this field is related to the recognition that the conventional scenario of gene expression is fully applicable only to prokaryotes whose genomes consist of tightly packed protein-coding sequences. In eukaryotic cells, in contrast, such sequences are relatively rare, and the rest of the genome includes numerous transcript units representing non-coding RNAs (ncRNAs). During the past decade, it has become clear that such RNAs play a crucial role in gene expression and accordingly influence a multitude of cellular processes both in the normal state and during diseases. The numerous biological functions of ncRNAs are based primarily on their abilities to silence genes via pairing with a target mRNA and subsequently preventing its translation or facilitating degradation of the mRNA-ncRNA complex. Many other abilities of ncRNAs have been discovered as well. Our review is focused on the available kinetic models describing the mRNA, ncRNA and protein interplay. In particular, we systematically present the simplest models without kinetic feedbacks, models containing feedbacks and predicting bistability and oscillations in simple genetic networks, and models describing the effect of ncRNAs on complex genetic networks. Mathematically, the presentation is based primarily on temporal mean-field kinetic equations. The stochastic and spatio-temporal effects are also briefly discussed.

  17. Numerical simulation of flood inundation using a well-balanced kinetic scheme for the shallow water equations with bulk recharge and discharge

    Science.gov (United States)

    Ersoy, Mehmet; Lakkis, Omar; Townsend, Philip

    2016-04-01

    The flow of water in rivers and oceans can, under general assumptions, be efficiently modelled using Saint-Venant's shallow water system of equations (SWE). SWE is a hyperbolic system of conservation laws (HSCL) which can be derived from a starting point of incompressible Navier-Stokes. A common difficulty in the numerical simulation of HSCLs is the conservation of physical entropy. Work by Audusse, Bristeau, Perthame (2000) and Perthame, Simeoni (2001), proposed numerical SWE solvers known as kinetic schemes (KSs), which can be shown to have desirable entropy-consistent properties, and are thus called well-balanced schemes. A KS is derived from kinetic equations that can be integrated into the SWE. In flood risk assessment models the SWE must be coupled with other equations describing interacting meteorological and hydrogeological phenomena such as rain and groundwater flows. The SWE must therefore be appropriately modified to accommodate source and sink terms, so kinetic schemes are no longer valid. While modifications of SWE in this direction have been recently proposed, e.g., Delestre (2010), we depart from the extant literature by proposing a novel model that is "entropy-consistent" and naturally extends the SWE by respecting its kinetic formulation connections. This allows us to derive a system of partial differential equations modelling flow of a one-dimensional river with both a precipitation term and a groundwater flow model to account for potential infiltration and recharge. We exhibit numerical simulations of the corresponding kinetic schemes. These simulations can be applied to both real world flood prediction and the tackling of wider issues on how climate and societal change are affecting flood risk.

  18. Extended symmetries of the kinetic plasma theory models

    International Nuclear Information System (INIS)

    Taranov, V.B.

    2005-01-01

    Symmetry extension of the kinetic theory of collisionless plasma containing particles with equal charge to mass ratio is considered. It is shown that this symmetry allows us to reduce the number of equations. Symmetries obtained for the integro-differential equations of the kinetic theory by the indirect algorithm are compared to those obtained by direct methods. The importance of additional conditions - positiveness and integrability of distribution functions, existence of their moments - is underlined

  19. Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics.

    Science.gov (United States)

    Lin, Yen Ting; Chylek, Lily A; Lemons, Nathan W; Hlavacek, William S

    2018-06-21

    The chemical kinetics of many complex systems can be concisely represented by reaction rules, which can be used to generate reaction events via a kinetic Monte Carlo method that has been termed network-free simulation. Here, we demonstrate accelerated network-free simulation through a novel approach to equation-free computation. In this process, variables are introduced that approximately capture system state. Derivatives of these variables are estimated using short bursts of exact stochastic simulation and finite differencing. The variables are then projected forward in time via a numerical integration scheme, after which a new exact stochastic simulation is initialized and the whole process repeats. The projection step increases efficiency by bypassing the firing of numerous individual reaction events. As we show, the projected variables may be defined as populations of building blocks of chemical species. The maximal number of connected molecules included in these building blocks determines the degree of approximation. Equation-free acceleration of network-free simulation is found to be both accurate and efficient.

  20. A highly accurate algorithm for the solution of the point kinetics equations

    International Nuclear Information System (INIS)

    Ganapol, B.D.

    2013-01-01

    Highlights: • Point kinetics equations for nuclear reactor transient analysis are numerically solved to extreme accuracy. • Results for classic benchmarks found in the literature are given to 9-digit accuracy. • Recent results of claimed accuracy are shown to be less accurate than claimed. • Arguably brings a chapter of numerical evaluation of the PKEs to a close. - Abstract: Attempts to resolve the point kinetics equations (PKEs) describing nuclear reactor transients have been the subject of numerous articles and texts over the past 50 years. Some very innovative methods, such as the RTS (Reactor Transient Simulation) and CAC (Continuous Analytical Continuation) methods of G.R. Keepin and J. Vigil respectively, have been shown to be exceptionally useful. Recently however, several authors have developed methods they consider accurate without a clear basis for their assertion. In response, this presentation will establish a definitive set of benchmarks to enable those developing PKE methods to truthfully assess the degree of accuracy of their methods. Then, with these benchmarks, two recently published methods, found in this journal will be shown to be less accurate than claimed and a legacy method from 1984 will be confirmed

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-07-01

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

  2. Coupled kinetic equations for fermions and bosons in the relaxation-time approximation

    Science.gov (United States)

    Florkowski, Wojciech; Maksymiuk, Ewa; Ryblewski, Radoslaw

    2018-02-01

    Kinetic equations for fermions and bosons are solved numerically in the relaxation-time approximation for the case of one-dimensional boost-invariant geometry. Fermions are massive and carry baryon number, while bosons are massless. The conservation laws for the baryon number, energy, and momentum lead to two Landau matching conditions, which specify the coupling between the fermionic and bosonic sectors and determine the proper-time dependence of the effective temperature and baryon chemical potential of the system. The numerical results illustrate how a nonequilibrium mixture of fermions and bosons approaches hydrodynamic regime described by the Navier-Stokes equations with appropriate forms of the kinetic coefficients. The shear viscosity of a mixture is the sum of the shear viscosities of fermion and boson components, while the bulk viscosity is given by the formula known for a gas of fermions, however, with the thermodynamic variables characterising the mixture. Thus, we find that massless bosons contribute in a nontrivial way to the bulk viscosity of a mixture, provided fermions are massive. We further observe the hydrodynamization effect, which takes place earlier in the shear sector than in the bulk one. The numerical studies of the ratio of the longitudinal and transverse pressures show, to a good approximation, that it depends on the ratio of the relaxation and proper times only. This behavior is connected with the existence of an attractor solution for conformal systems.

  3. KINETIC-J: A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

    Science.gov (United States)

    Green, David L.; Berry, Lee A.; Simpson, Adam B.; Younkin, Timothy R.

    2018-04-01

    We present the KINETIC-J code, a computational kernel for evaluating the linearized Vlasov equation with application to calculating the kinetic plasma response (current) to an applied time harmonic wave electric field. This code addresses the need for a configuration space evaluation of the plasma current to enable kinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourier spectral methods. We benchmark the kernel via comparison with the standard k →-space forms of the hot plasma conductivity tensor.

  4. Nonlinear integral equations for the sausage model

    Science.gov (United States)

    Ahn, Changrim; Balog, Janos; Ravanini, Francesco

    2017-08-01

    The sausage model, first proposed by Fateev, Onofri, and Zamolodchikov, is a deformation of the O(3) sigma model preserving integrability. The target space is deformed from the sphere to ‘sausage’ shape by a deformation parameter ν. This model is defined by a factorizable S-matrix which is obtained by deforming that of the O(3) sigma model by a parameter λ. Clues for the deformed sigma model are provided by various UV and IR information through the thermodynamic Bethe ansatz (TBA) analysis based on the S-matrix. Application of TBA to the sausage model is, however, limited to the case of 1/λ integer where the coupled integral equations can be truncated to a finite number. In this paper, we propose a finite set of nonlinear integral equations (NLIEs), which are applicable to generic value of λ. Our derivation is based on T-Q relations extracted from the truncated TBA equations. For a consistency check, we compute next-leading order corrections of the vacuum energy and extract the S-matrix information in the IR limit. We also solved the NLIE both analytically and numerically in the UV limit to get the effective central charge and compared with that of the zero-mode dynamics to obtain exact relation between ν and λ. Dedicated to the memory of Petr Petrovich Kulish.

  5. Inverse kinetics equations for on line measurement of reactivity using personal computer

    International Nuclear Information System (INIS)

    Ratemi, Wajdi; El Gadamsi, Walied; Beleid, Abdul Kariem

    1993-01-01

    Computer with their astonishing speed of calculations along with their easy connection to real systems, are very appropriate for digital measurements of real system variables. In the nuclear industry, such computer application will produce compact control rooms of real power plants, where information and results display can be obtained through push button concept. In our study, we use two personal computers for the purpose of simulation and measurement. One of them is used as a digital simulator to a real reactor, where we effectively simulate the reactor power through a cross talk network. The computed power is passed at certain chosen sampling time to the other computer. The purpose of the other computer is to use the inverse kinetics equations to calculate the reactivity parameter based on the received power and then it performs on line display of the power curve and the reactivity curve using color graphics. In this study, we use the one group version of the inverse kinetics algorithm which can easily be extended to larger group version. The language of programming used in Turbo BASIC, which is very comparable, in terms of efficiency, to FORTRAN language, besides its effective graphics routines. With the use of the extended version of the Inverse Kinetics algorithm, we can effectively apply this techniques of measurement for the purpose of on line display of the reactivity of the Tajoura Research Reactor. (author)

  6. A kinetic model for the transport of electrons in a graphene layer

    Energy Technology Data Exchange (ETDEWEB)

    Fermanian Kammerer, Clotilde, E-mail: Clotilde.Fermanian@u-pec.fr [Laboratoire d' Analyse et de Mathématiques Appliquées, Université Paris Est and CNRS, 61, avenue du Général de Gaulle, 94010 Créteil Cedex (France); Méhats, Florian, E-mail: florian.mehats@univ-rennes1.fr [Institut de Recherche Mathématique de Rennes, IPSO Inria team, Université Rennes 1 and CNRS, Campus de Beaulieu, 35042 Rennes cedex (France)

    2016-12-15

    In this article, we propose a new numerical scheme for the computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity responsible for non-adiabatic transitions between the two modes. We first derive a kinetic model which takes the form of two Boltzmann equations coupled by a collision operator modeling the non-adiabatic transitions. This collision term includes a Landau–Zener transfer term and a jump operator whose presence is essential in order to ensure a good energy conservation during the transitions. We propose an algorithmic realization of the semi-group solving the kinetic model, by a particle method. We give analytic justification of the model and propose a series of numerical experiments studying the influences of the various sources of errors between the quantum and the kinetic models.

  7. Integrated stoichiometric, thermodynamic and kinetic modelling of steady state metabolism.

    Science.gov (United States)

    Fleming, R M T; Thiele, I; Provan, G; Nasheuer, H P

    2010-06-07

    The quantitative analysis of biochemical reactions and metabolites is at frontier of biological sciences. The recent availability of high-throughput technology data sets in biology has paved the way for new modelling approaches at various levels of complexity including the metabolome of a cell or an organism. Understanding the metabolism of a single cell and multi-cell organism will provide the knowledge for the rational design of growth conditions to produce commercially valuable reagents in biotechnology. Here, we demonstrate how equations representing steady state mass conservation, energy conservation, the second law of thermodynamics, and reversible enzyme kinetics can be formulated as a single system of linear equalities and inequalities, in addition to linear equalities on exponential variables. Even though the feasible set is non-convex, the reformulation is exact and amenable to large-scale numerical analysis, a prerequisite for computationally feasible genome scale modelling. Integrating flux, concentration and kinetic variables in a unified constraint-based formulation is aimed at increasing the quantitative predictive capacity of flux balance analysis. Incorporation of experimental and theoretical bounds on thermodynamic and kinetic variables ensures that the predicted steady state fluxes are both thermodynamically and biochemically feasible. The resulting in silico predictions are tested against fluxomic data for central metabolism in Escherichia coli and compare favourably with in silico prediction by flux balance analysis. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  8. Analysis of Electromagnetic Wave Propagation in a Magnetized Re-Entry Plasma Sheath Via the Kinetic Equation

    Science.gov (United States)

    Manning, Robert M.

    2009-01-01

    Based on a theoretical model of the propagation of electromagnetic waves through a hypersonically induced plasma, it has been demonstrated that the classical radiofrequency communications blackout that is experienced during atmospheric reentry can be mitigated through the appropriate control of an external magnetic field of nominal magnitude. The model is based on the kinetic equation treatment of Vlasov and involves an analytical solution for the electric and magnetic fields within the plasma allowing for a description of the attendant transmission, reflection and absorption coefficients. The ability to transmit through the magnetized plasma is due to the magnetic windows that are created within the plasma via the well-known whistler modes of propagation. The case of 2 GHz transmission through a re-entry plasma is considered. The coefficients are found to be highly sensitive to the prevailing electron density and will thus require a dynamic control mechanism to vary the magnetic field as the plasma evolves through the re-entry phase.

  9. Quantum kinetic field theory in curved spacetime: Covariant Wigner function and Liouville-Vlasov equations

    International Nuclear Information System (INIS)

    Calzetta, E.; Habib, S.; Hu, B.L.

    1988-01-01

    We consider quantum fields in an external potential and show how, by using the Fourier transform on propagators, one can obtain the mass-shell constraint conditions and the Liouville-Vlasov equation for the Wigner distribution function. We then consider the Hadamard function G 1 (x 1 ,x 2 ) of a real, free, scalar field in curved space. We postulate a form for the Fourier transform F/sup (//sup Q//sup )/(X,k) of the propagator with respect to the difference variable x = x 1 -x 2 on a Riemann normal coordinate centered at Q. We show that F/sup (//sup Q//sup )/ is the result of applying a certain Q-dependent operator on a covariant Wigner function F. We derive from the wave equations for G 1 a covariant equation for the distribution function and show its consistency. We seek solutions to the set of Liouville-Vlasov equations for the vacuum and nonvacuum cases up to the third adiabatic order. Finally we apply this method to calculate the Hadamard function in the Einstein universe. We show that the covariant Wigner function can incorporate certain relevant global properties of the background spacetime. Covariant Wigner functions and Liouville-Vlasov equations are also derived for free fermions in curved spacetime. The method presented here can serve as a basis for constructing quantum kinetic theories in curved spacetime or for near-uniform systems under quasiequilibrium conditions. It can also be useful to the development of a transport theory of quantum fields for the investigation of grand unification and post-Planckian quantum processes in the early Universe

  10. Kinetic modeling in PET imaging of hypoxia

    Science.gov (United States)

    Li, Fan; Joergensen, Jesper T; Hansen, Anders E; Kjaer, Andreas

    2014-01-01

    Tumor hypoxia is associated with increased therapeutic resistance leading to poor treatment outcome. Therefore the ability to detect and quantify intratumoral oxygenation could play an important role in future individual personalized treatment strategies. Positron Emission Tomography (PET) can be used for non-invasive mapping of tissue oxygenation in vivo and several hypoxia specific PET tracers have been developed. Evaluation of PET data in the clinic is commonly based on visual assessment together with semiquantitative measurements e.g. standard uptake value (SUV). However, dynamic PET contains additional valuable information on the temporal changes in tracer distribution. Kinetic modeling can be used to extract relevant pharmacokinetic parameters of tracer behavior in vivo that reflects relevant physiological processes. In this paper, we review the potential contribution of kinetic analysis for PET imaging of hypoxia. PMID:25250200

  11. The fractional diffusion limit of a kinetic model with biochemical pathway

    Science.gov (United States)

    Perthame, Benoît; Sun, Weiran; Tang, Min

    2018-06-01

    Kinetic-transport equations that take into account the intracellular pathways are now considered as the correct description of bacterial chemotaxis by run and tumble. Recent mathematical studies have shown their interest and their relations to more standard models. Macroscopic equations of Keller-Segel type have been derived using parabolic scaling. Due to the randomness of receptor methylation or intracellular chemical reactions, noise occurs in the signaling pathways and affects the tumbling rate. Then comes the question to understand the role of an internal noise on the behavior of the full population. In this paper we consider a kinetic model for chemotaxis which includes biochemical pathway with noises. We show that under proper scaling and conditions on the tumbling frequency as well as the form of noise, fractional diffusion can arise in the macroscopic limits of the kinetic equation. This gives a new mathematical theory about how long jumps can be due to the internal noise of the bacteria.

  12. MATHEMATICAL MODELING OF ORANGE SEED DRYING KINETICS

    Directory of Open Access Journals (Sweden)

    Daniele Penteado Rosa

    2015-06-01

    Full Text Available Drying of orange seeds representing waste products from juice processing was studied in the temperatures of 40, 50, 60 and 70 °C and drying velocities of 0.6, 1.0 and 1.4 m/s. Experimental drying kinetics of orange seeds were obtained using a convective air forced dryer. Three thin-layer models: Page model, Lewis model, and the Henderson-Pabis model and the diffusive model were used to predict the drying curves. The Henderson-Pabis and the diffusive models show the best fitting performance and statistical evaluations. Moreover, the temperature dependence on the effective diffusivity followed an Arrhenius relationship, and the activation energies ranging from 16.174 to 16.842 kJ/mol

  13. Growth Kinetics and Modeling of Direct Oxynitride Growth with NO-O2 Gas Mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Everist, Sarah; Nelson, Jerry; Sharangpani, Rahul; Smith, Paul Martin; Tay, Sing-Pin; Thakur, Randhir

    1999-05-03

    We have modeled growth kinetics of oxynitrides grown in NO-O2 gas mixtures from first principles using modified Deal-Grove equations. Retardation of oxygen diffusion through the nitrided dielectric was assumed to be the dominant growth-limiting step. The model was validated against experimentally obtained curves with good agreement. Excellent uniformity, which exceeded expected walues, was observed.

  14. Ordinary Differential Equation Models for Adoptive Immunotherapy.

    Science.gov (United States)

    Talkington, Anne; Dantoin, Claudia; Durrett, Rick

    2018-05-01

    Modified T cells that have been engineered to recognize the CD19 surface marker have recently been shown to be very successful at treating acute lymphocytic leukemias. Here, we explore four previous approaches that have used ordinary differential equations to model this type of therapy, compare their properties, and modify the models to address their deficiencies. Although the four models treat the workings of the immune system in slightly different ways, they all predict that adoptive immunotherapy can be successful to move a patient from the large tumor fixed point to an equilibrium with little or no tumor.

  15. Structural Equation Modeling with the Smartpls

    Directory of Open Access Journals (Sweden)

    Christian M. Ringle

    2014-05-01

    Full Text Available The objective of this article is to present a didactic example of Structural Equation Modeling using the software SmartPLS 2.0 M3. The program mentioned uses the method of Partial Least Squares and seeks to address the following situations frequently observed in marketing research: Absence of symmetric distributions of variables measured by a theory still in its beginning phase or with little “consolidation”, formative models, and/or a limited amount of data. The growing use of SmartPLS has demonstrated its robustness and the applicability of the model in the areas that are being studied. 

  16. DISPL-1, 2. Order Nonlinear Partial Differential Equation System Solution for Kinetics Diffusion Problems

    International Nuclear Information System (INIS)

    Leaf, G.K.; Minkoff, M.

    1982-01-01

    1 - Description of problem or function: DISPL1 is a software package for solving second-order nonlinear systems of partial differential equations including parabolic, elliptic, hyperbolic, and some mixed types. The package is designed primarily for chemical kinetics- diffusion problems, although not limited to these problems. Fairly general nonlinear boundary conditions are allowed as well as inter- face conditions for problems in an inhomogeneous medium. The spatial domain is one- or two-dimensional with rectangular Cartesian, cylindrical, or spherical (in one dimension only) geometry. 2 - Method of solution: The numerical method is based on the use of Galerkin's procedure combined with the use of B-Splines (C.W.R. de-Boor's B-spline package) to generate a system of ordinary differential equations. These equations are solved by a sophisticated ODE software package which is a modified version of Hindmarsh's GEAR package, NESC Abstract 592. 3 - Restrictions on the complexity of the problem: The spatial domain must be rectangular with sides parallel to the coordinate geometry. Cross derivative terms are not permitted in the PDE. The order of the B-Splines is at most 12. Other parameters such as the number of mesh points in each coordinate direction, the number of PDE's etc. are set in a macro table used by the MORTRAn2 preprocessor in generating the object code

  17. Numerical solution of the 1D kinetics equations using a cubic reduced nodal scheme

    International Nuclear Information System (INIS)

    Gomez T, A.M.; Valle G, E. del; Delfin L, A.; Alonso V, G.

    2003-01-01

    In this work a finite differences technique centered in mesh based on a cubic reduced nodal scheme type finite element to solve the equations of the kinetics 1 D that include the equations corresponding to the concentrations of precursors of delayed neutrons is described. The technique of finite elements used is that of Galerkin where so much the neutron flux as the concentrations of precursors its are spatially approached by means of a three grade polynomial. The matrices of rigidity and of mass that arise during this discretization process are numerically evaluated using the open quadrature non standard of Newton-Cotes and that of Radau respectively. The purpose of the application of these quadratures is the one of to eliminate in the global matrices the couplings among the values of the flow in points of the discretization with the consequent advantages as for the reduction of the order of the matrix associated to the discreet problem that is to solve. As for the time dependent part the classical integration scheme known as Θ scheme is applied. After carrying out the one reordering of unknown and equations it arrives to a reduced system that it can be solved but quickly. With the McKin compute program developed its were solved three benchmark problems and those results are shown for the relative powers. (Author)

  18. The Vlasov equation with strong magnetic field and oscillating electric field as a model for isotop resonant separation

    Directory of Open Access Journals (Sweden)

    Emmanuel Frenod

    2002-01-01

    Full Text Available We study the qualitative behavior of solutions to the Vlasov equation with strong external magnetic field and oscillating electric field. This model is relevant to the understanding of isotop resonant separation. We show that the effective equation is a kinetic equation with a memory term. This memory term involves a pseudo-differential operator whose kernel is characterized by an integral equation involving Bessel functions. The kernel is explicitly given in some particular cases.

  19. Kinetic modeling and exploratory numerical simulation of chloroplastic starch degradation

    Directory of Open Access Journals (Sweden)

    Nag Ambarish

    2011-06-01

    Full Text Available Abstract Background Higher plants and algae are able to fix atmospheric carbon dioxide through photosynthesis and store this fixed carbon in large quantities as starch, which can be hydrolyzed into sugars serving as feedstock for fermentation to biofuels and precursors. Rational engineering of carbon flow in plant cells requires a greater understanding of how starch breakdown fluxes respond to variations in enzyme concentrations, kinetic parameters, and metabolite concentrations. We have therefore developed and simulated a detailed kinetic ordinary differential equation model of the degradation pathways for starch synthesized in plants and green algae, which to our knowledge is the most complete such model reported to date. Results Simulation with 9 internal metabolites and 8 external metabolites, the concentrations of the latter fixed at reasonable biochemical values, leads to a single reference solution showing β-amylase activity to be the rate-limiting step in carbon flow from starch degradation. Additionally, the response coefficients for stromal glucose to the glucose transporter kcat and KM are substantial, whereas those for cytosolic glucose are not, consistent with a kinetic bottleneck due to transport. Response coefficient norms show stromal maltopentaose and cytosolic glucosylated arabinogalactan to be the most and least globally sensitive metabolites, respectively, and β-amylase kcat and KM for starch to be the kinetic parameters with the largest aggregate effect on metabolite concentrations as a whole. The latter kinetic parameters, together with those for glucose transport, have the greatest effect on stromal glucose, which is a precursor for biofuel synthetic pathways. Exploration of the steady-state solution space with respect to concentrations of 6 external metabolites and 8 dynamic metabolite concentrations show that stromal metabolism is strongly coupled to starch levels, and that transport between compartments serves to

  20. Chemical kinetics and modeling of planetary atmospheres

    Science.gov (United States)

    Yung, Yuk L.

    1990-01-01

    A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

  1. Mathematical Modeling of Conversion Kinetics during Vitrification of Nuclear Waste

    International Nuclear Information System (INIS)

    Pokorny, Richard; Pierce, David A.; Chun, Jae Hun; Hrma, Pavel

    2012-01-01

    The last part of the high-level waste (HLW) glass melter that has not yet been fully understood, not to mention mathematically modeled, is the cold cap. Cold cap is a layer of dry melter feed, a mixture of the HLW with glass forming and modifying additives. It floats on the pool of molten glass from which it receives the heat necessary for melting. Mathematical modeling of the cold cap solves differential equations that express the mass and energy balances for the feed-to-glass conversion within the cold cap. The feed-to-glass conversion consists of multiple chemical reactions and phase transitions. Reaction enthalpies and mass losses to gases evolved provide an important input for the cold cap modeling. In this study, we measured the kinetics of cold cap reactions using the non-isothermal thermo-gravimetric analysis (TGA) and differential scanning calorimetry (DSC). These thermoanalytical techniques show multiple overlapping peaks, necessitating the development of a deconvolution method for the determination of the kinetics of major reactions needed for cold cap modeling. Assuming that the cold cap reactions are independent, we expressed the overall rate as a sum of rates of individual reactions that we treat as Arrheniustype processes with a power-law based kinetics. Accordingly, we fitted to experimental data the following equation: dx/dT=1/Φ N Σ 1 w i A i (1-x i ) ni exp(-B i /T) (1) where x is the fraction of material reacted, T is temperature, Φ is the heating rate, wi the weight of the i th reaction (the fraction of the total mass loss caused by the i th reaction), Ai is the i th reaction pre-exponential factor, B i is the i th reaction activation energy, and n i is the i th reaction (apparent) reaction order. Because HLW melter feeds contain a large number of constituents, such as oxides, acids, hydroxides, oxyhydrates, and ionic salts, the number of cold cap reactions is very large indeed. For example, hydroxides, oxyhydrates, boric acid, and various

  2. Electron kinetics modeling in a weakly ionized gas

    International Nuclear Information System (INIS)

    Boeuf, Jean-Pierre

    1985-01-01

    This work presents some features of electron kinetics in a weakly ionized gas. After a summary of the basis and recent developments of the kinetic theory, and a review of the most efficient numerical techniques for solving the Boltzmann equation, several aspects of electron motion in gases are analysed. Relaxation phenomena toward equilibrium under a uniform electric field, and the question of the existence of the hydrodynamic regime are first studied. The coupling between electron kinetics and chemical kinetics due to second kind collisions in Nitrogen is then analysed; a quantitative description of the evolution of the energy balance, accounting for electron-molecule as well as molecule-molecule energy transfer is also given. Finally, electron kinetics in space charge distorted, highly non uniform electric fields (glow discharges, streamers propagation) is investigated with microscopic numerical methods based on Boltzmann and Poisson equations. (author) [fr

  3. Kinetic modelling of the Maillard reaction between proteins and sugars

    NARCIS (Netherlands)

    Brands, C.M.J.

    2002-01-01

    Keywords: Maillard reaction, sugar isomerisation, kinetics, multiresponse modelling, brown colour formation, lysine damage, mutagenicity, casein, monosaccharides, disaccharides, aldoses, ketoses

    The aim of this thesis was to determine the kinetics of the Maillard reaction between

  4. Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

    Science.gov (United States)

    Chu, Khim Hoong

    2017-11-09

    Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

  5. Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

    Science.gov (United States)

    Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

    2018-04-01

    A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

  6. Discrete Bogomolny equations for the nonlinear O(3) σ model in 2+1 dimensions

    International Nuclear Information System (INIS)

    Leese, R.

    1989-01-01

    Discrete analogues of the topological charge and of the Bogomolny equations are constructed for the nonlinear O(3) σ model in 2+1 dimensions, subject to the restriction that the energy density be radially symmetric. These are then incorporated into a discretized version of the evolution equations. Using the discrete Bogomolny relations to construct the initial data for numerical simulations removes the ''lattice wobble'' sometimes observed at low kinetic energies. This feature is very important for the delicate question of instanton stability

  7. Principles and practice of structural equation modeling

    CERN Document Server

    Kline, Rex B

    2015-01-01

    Emphasizing concepts and rationale over mathematical minutiae, this is the most widely used, complete, and accessible structural equation modeling (SEM) text. Continuing the tradition of using real data examples from a variety of disciplines, the significantly revised fourth edition incorporates recent developments such as Pearl's graphing theory and the structural causal model (SCM), measurement invariance, and more. Readers gain a comprehensive understanding of all phases of SEM, from data collection and screening to the interpretation and reporting of the results. Learning is enhanced by ex

  8. Universal Rate Model Selector: A Method to Quickly Find the Best-Fit Kinetic Rate Model for an Experimental Rate Profile

    Science.gov (United States)

    2017-08-01

    k2 – k1) 3.3 Universal Kinetic Rate Platform Development Kinetic rate models range from pure chemical reactions to mass transfer...14 8. The rate model that best fits the experimental data is a first-order or homogeneous catalytic reaction ...Avrami (7), and intraparticle diffusion (6) rate equations to name a few. A single fitting algorithm (kinetic rate model ) for a reaction does not

  9. Polynomial approach method to solve the neutron point kinetics equations with use of the analytic continuation

    Energy Technology Data Exchange (ETDEWEB)

    Tumelero, Fernanda; Petersen, Claudio Zen; Goncalves, Glenio Aguiar [Universidade Federal de Pelotas, Capao do Leao, RS (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Schramm, Marcelo [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica

    2016-12-15

    In this work, we report a solution to solve the Neutron Point Kinetics Equations applying the Polynomial Approach Method. The main idea is to expand the neutron density and delayed neutron precursors as a power series considering the reactivity as an arbitrary function of the time in a relatively short time interval around an ordinary point. In the first interval one applies the initial conditions and the analytical continuation is used to determine the solutions of the next intervals. A genuine error control is developed based on an analogy with the Rest Theorem. For illustration, we also report simulations for different approaches types (linear, quadratic and cubic). The results obtained by numerical simulations for linear approximation are compared with results in the literature.

  10. Thermodynamically consistent model calibration in chemical kinetics

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2011-05-01

    Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new

  11. Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

    Science.gov (United States)

    Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

    2018-03-01

    In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

  12. Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

    Science.gov (United States)

    Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

    2018-06-01

    In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

  13. Numerical solution of kinetics equation for point defects accumulation in metals under irradiation

    International Nuclear Information System (INIS)

    Aldzhambekova, G.T.; Iskakov, B.M.

    1999-01-01

    In the report the mathematical model, describing processes of generation and accumulation of defects in solids under irradiation is considered. The equations of this model take into account the velocity of Frenkel pairs generation, the mutual recombination of vacancies and the interstitials, as well as velocity of defects absorption by discharge channeling of vacancies and interstitials. By Runge-Kutta method the numerical solution of the model was carried out

  14. Approximate method for stochastic chemical kinetics with two-time scales by chemical Langevin equations

    International Nuclear Information System (INIS)

    Wu, Fuke; Tian, Tianhai; Rawlings, James B.; Yin, George

    2016-01-01

    The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in the work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.

  15. Factors influencing creep model equation selection

    International Nuclear Information System (INIS)

    Holdsworth, S.R.; Askins, M.; Baker, A.; Gariboldi, E.; Holmstroem, S.; Klenk, A.; Ringel, M.; Merckling, G.; Sandstrom, R.; Schwienheer, M.; Spigarelli, S.

    2008-01-01

    During the course of the EU-funded Advanced-Creep Thematic Network, ECCC-WG1 reviewed the applicability and effectiveness of a range of model equations to represent the accumulation of creep strain in various engineering alloys. In addition to considering the experience of network members, the ability of several models to describe the deformation characteristics of large single and multi-cast collations of ε(t,T,σ) creep curves have been evaluated in an intensive assessment inter-comparison activity involving three steels, 21/4 CrMo (P22), 9CrMoVNb (Steel-91) and 18Cr13NiMo (Type-316). The choice of the most appropriate creep model equation for a given application depends not only on the high-temperature deformation characteristics of the material under consideration, but also on the characteristics of the dataset, the number of casts for which creep curves are available and on the strain regime for which an analytical representation is required. The paper focuses on the factors which can influence creep model selection and model-fitting approach for multi-source, multi-cast datasets

  16. Solubility of the transport equation in the kinetics of coagulation and fragmentation

    International Nuclear Information System (INIS)

    Dubovskii, P B

    2001-01-01

    We prove a local existence theorem for a continuous solution of the spatially inhomogeneous kinetic coagulation-fragmentation model of Smoluchowski. Then we prove the solubility of the problem in the large in the class of continuous functions. It is important to emphasize that we admit unbounded integral kernels in both cases. The uniqueness of the solution and its continuous dependence on the input data are also demonstrated

  17. PADÉ APPROXIMANTS FOR THE EQUATION OF STATE FOR RELATIVISTIC HYDRODYNAMICS BY KINETIC THEORY

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Shang-Hsi; Yang, Jaw-Yen, E-mail: shanghsi@gmail.com [Institute of Applied Mechanics, National Taiwan University, Taipei 10764, Taiwan (China)

    2015-07-20

    A two-point Padé approximant (TPPA) algorithm is developed for the equation of state (EOS) for relativistic hydrodynamic systems, which are described by the classical Maxwell–Boltzmann statistics and the semiclassical Fermi–Dirac statistics with complete degeneracy. The underlying rational function is determined by the ratios of the macroscopic state variables with various orders of accuracy taken at the extreme relativistic limits. The nonunique TPPAs are validated by Taub's inequality for the consistency of the kinetic theory and the special theory of relativity. The proposed TPPA is utilized in deriving the EOS of the dilute gas and in calculating the specific heat capacity, the adiabatic index function, and the isentropic sound speed of the ideal gas. Some general guidelines are provided for the application of an arbitrary accuracy requirement. The superiority of the proposed TPPA is manifested in manipulating the constituent polynomials of the approximants, which avoids the arithmetic complexity of struggling with the modified Bessel functions and the hyperbolic trigonometric functions arising from the relativistic kinetic theory.

  18. Multi-scale method for the resolution of the neutronic kinetics equations

    International Nuclear Information System (INIS)

    Chauvet, St.

    2008-10-01

    In this PhD thesis and in order to improve the time/precision ratio of the numerical simulation calculations, we investigate multi-scale techniques for the resolution of the reactor kinetics equations. We choose to focus on the mixed dual diffusion approximation and the quasi-static methods. We introduce a space dependency for the amplitude function which only depends on the time variable in the standard quasi-static context. With this new factorization, we develop two mixed dual problems which can be solved with Cea's solver MINOS. An algorithm is implemented, performing the resolution of these problems defined on different scales (for time and space). We name this approach: the Local Quasi-Static method. We present here this new multi-scale approach and its implementation. The inherent details of amplitude and shape treatments are discussed and justified. Results and performances, compared to MINOS, are studied. They illustrate the improvement on the time/precision ratio for kinetics calculations. Furthermore, we open some new possibilities to parallelize computations with MINOS. For the future, we also introduce some improvement tracks with adaptive scales. (author)

  19. Comparison of the kinetics of different Markov models for ligand binding under varying conditions

    International Nuclear Information System (INIS)

    Martini, Johannes W. R.; Habeck, Michael

    2015-01-01

    We recently derived a Markov model for macromolecular ligand binding dynamics from few physical assumptions and showed that its stationary distribution is the grand canonical ensemble [J. W. R. Martini, M. Habeck, and M. Schlather, J. Math. Chem. 52, 665 (2014)]. The transition probabilities of the proposed Markov process define a particular Glauber dynamics and have some similarity to the Metropolis-Hastings algorithm. Here, we illustrate that this model is the stochastic analog of (pseudo) rate equations and the corresponding system of differential equations. Moreover, it can be viewed as a limiting case of general stochastic simulations of chemical kinetics. Thus, the model links stochastic and deterministic approaches as well as kinetics and equilibrium described by the grand canonical ensemble. We demonstrate that the family of transition matrices of our model, parameterized by temperature and ligand activity, generates ligand binding kinetics that respond to changes in these parameters in a qualitatively similar way as experimentally observed kinetics. In contrast, neither the Metropolis-Hastings algorithm nor the Glauber heat bath reflects changes in the external conditions correctly. Both converge rapidly to the stationary distribution, which is advantageous when the major interest is in the equilibrium state, but fail to describe the kinetics of ligand binding realistically. To simulate cellular processes that involve the reversible stochastic binding of multiple factors, our pseudo rate equation model should therefore be preferred to the Metropolis-Hastings algorithm and the Glauber heat bath, if the stationary distribution is not of only interest

  20. Comparison of the kinetics of different Markov models for ligand binding under varying conditions

    Energy Technology Data Exchange (ETDEWEB)

    Martini, Johannes W. R., E-mail: jmartin2@gwdg.de [Max Planck Institute for Developmental Biology, Tübingen (Germany); Felix Bernstein Institute for Mathematical Statistics in the Biosciences, University of Göttingen, Göttingen (Germany); Habeck, Michael, E-mail: mhabeck@gwdg.de [Felix Bernstein Institute for Mathematical Statistics in the Biosciences, University of Göttingen, Göttingen (Germany); Max Planck Institute for Biophysical Chemistry, Göttingen (Germany)

    2015-03-07

    We recently derived a Markov model for macromolecular ligand binding dynamics from few physical assumptions and showed that its stationary distribution is the grand canonical ensemble [J. W. R. Martini, M. Habeck, and M. Schlather, J. Math. Chem. 52, 665 (2014)]. The transition probabilities of the proposed Markov process define a particular Glauber dynamics and have some similarity to the Metropolis-Hastings algorithm. Here, we illustrate that this model is the stochastic analog of (pseudo) rate equations and the corresponding system of differential equations. Moreover, it can be viewed as a limiting case of general stochastic simulations of chemical kinetics. Thus, the model links stochastic and deterministic approaches as well as kinetics and equilibrium described by the grand canonical ensemble. We demonstrate that the family of transition matrices of our model, parameterized by temperature and ligand activity, generates ligand binding kinetics that respond to changes in these parameters in a qualitatively similar way as experimentally observed kinetics. In contrast, neither the Metropolis-Hastings algorithm nor the Glauber heat bath reflects changes in the external conditions correctly. Both converge rapidly to the stationary distribution, which is advantageous when the major interest is in the equilibrium state, but fail to describe the kinetics of ligand binding realistically. To simulate cellular processes that involve the reversible stochastic binding of multiple factors, our pseudo rate equation model should therefore be preferred to the Metropolis-Hastings algorithm and the Glauber heat bath, if the stationary distribution is not of only interest.

  1. A direct method for numerical solution of a class of nonlinear Volterra integro-differential equations and its application to the nonlinear fission and fusion reactor kinetics

    International Nuclear Information System (INIS)

    Nakahara, Yasuaki; Ise, Takeharu; Kobayashi, Kensuke; Itoh, Yasuyuki

    1975-12-01

    A new method has been developed for numerical solution of a class of nonlinear Volterra integro-differential equations with quadratic nonlinearity. After dividing the domain of the variable into subintervals, piecewise approximations are applied in the subintervals. The equation is first integrated over a subinterval to obtain the piecewise equation, to which six approximate treatments are applied, i.e. fully explicit, fully implicit, Crank-Nicolson, linear interpolation, quadratic and cubic spline. The numerical solution at each time step is obtained directly as a positive root of the resulting algebraic quadratic equation. The point reactor kinetics with a ramp reactivity insertion, linear temperature feedback and delayed neutrons can be described by one of this type of nonlinear Volterra integro-differential equations. The algorithm is applied to the Argonne benchmark problem and a model problem for a fast reactor without delayed neutrons. The fully implicit method has been found to be unconditionally stable in the sense that it always gives the positive real roots. The cubic spline method is divergent, and the other four methods are intermediate in between. From the estimation of the stability, convergency, accuracy and CPU time, it is concluded that the Crank-Nicolson method is best, then the linear interpolation method comes closely next to it. Discussions are also made on the possibility of applying the algorithm to the fusion reactor kinetics in the form of a nonlinear partial differential equation. (auth.)

  2. Point kinetics equations for subcritical systems based on the importance function associated to an external neutron source

    International Nuclear Information System (INIS)

    Carvalho Gonçalves, Wemerson de; Martinez, Aquilino Senra; Carvalho da Silva, Fernando

    2015-01-01

    Highlights: • We define the new function importance. • We calculate the kinetic parameters Λ, β, Γ and Q to: 0.95, 0.96, 0.97, 0.98 and 0.99. • We compared the results with those obtained by the main important functions. • We found that the calculated kinetic parameters are physically consistent. - Abstract: This paper aims to determine the parameters for a new set of equations of point kinetic subcritical systems, based on the concept of importance of Heuristic Generalized Perturbation Theory (HGPT). The importance function defined here is related to both the subcriticality and the external neutron source worth (which keeps the system at steady state). The kinetic parameters defined in this work are compared with the corresponding parameters when adopting the importance functions proposed by Gandini and Salvatores (2002), Dulla et al. (2006) and Nishihara et al. (2003). Furthermore, the point kinetics equations developed here are solved for two different transients, considering the parameters obtained with different importance functions. The results collected show that there is a similar behavior of the solution of the point kinetics equations, when used with the parameters obtained by the importance functions proposed by Gandini and Salvatores (2002) and Dulla et al. (2006), specially near the criticality. However, this is not verified as the system gets farther from criticality

  3. Modelling Evolutionary Algorithms with Stochastic Differential Equations.

    Science.gov (United States)

    Heredia, Jorge Pérez

    2017-11-20

    There has been renewed interest in modelling the behaviour of evolutionary algorithms (EAs) by more traditional mathematical objects, such as ordinary differential equations or Markov chains. The advantage is that the analysis becomes greatly facilitated due to the existence of well established methods. However, this typically comes at the cost of disregarding information about the process. Here, we introduce the use of stochastic differential equations (SDEs) for the study of EAs. SDEs can produce simple analytical results for the dynamics of stochastic processes, unlike Markov chains which can produce rigorous but unwieldy expressions about the dynamics. On the other hand, unlike ordinary differential equations (ODEs), they do not discard information about the stochasticity of the process. We show that these are especially suitable for the analysis of fixed budget scenarios and present analogues of the additive and multiplicative drift theorems from runtime analysis. In addition, we derive a new more general multiplicative drift theorem that also covers non-elitist EAs. This theorem simultaneously allows for positive and negative results, providing information on the algorithm's progress even when the problem cannot be optimised efficiently. Finally, we provide results for some well-known heuristics namely Random Walk (RW), Random Local Search (RLS), the (1+1) EA, the Metropolis Algorithm (MA), and the Strong Selection Weak Mutation (SSWM) algorithm.

  4. Exploratory structural equation modeling of personality data.

    Science.gov (United States)

    Booth, Tom; Hughes, David J

    2014-06-01

    The current article compares the use of exploratory structural equation modeling (ESEM) as an alternative to confirmatory factor analytic (CFA) models in personality research. We compare model fit, factor distinctiveness, and criterion associations of factors derived from ESEM and CFA models. In Sample 1 (n = 336) participants completed the NEO-FFI, the Trait Emotional Intelligence Questionnaire-Short Form, and the Creative Domains Questionnaire. In Sample 2 (n = 425) participants completed the Big Five Inventory and the depression and anxiety scales of the General Health Questionnaire. ESEM models provided better fit than CFA models, but ESEM solutions did not uniformly meet cutoff criteria for model fit. Factor scores derived from ESEM and CFA models correlated highly (.91 to .99), suggesting the additional factor loadings within the ESEM model add little in defining latent factor content. Lastly, criterion associations of each personality factor in CFA and ESEM models were near identical in both inventories. We provide an example of how ESEM and CFA might be used together in improving personality assessment. © The Author(s) 2014.

  5. Parameter Estimation of Partial Differential Equation Models.

    Science.gov (United States)

    Xun, Xiaolei; Cao, Jiguo; Mallick, Bani; Carroll, Raymond J; Maity, Arnab

    2013-01-01

    Partial differential equation (PDE) models are commonly used to model complex dynamic systems in applied sciences such as biology and finance. The forms of these PDE models are usually proposed by experts based on their prior knowledge and understanding of the dynamic system. Parameters in PDE models often have interesting scientific interpretations, but their values are often unknown, and need to be estimated from the measurements of the dynamic system in the present of measurement errors. Most PDEs used in practice have no analytic solutions, and can only be solved with numerical methods. Currently, methods for estimating PDE parameters require repeatedly solving PDEs numerically under thousands of candidate parameter values, and thus the computational load is high. In this article, we propose two methods to estimate parameters in PDE models: a parameter cascading method and a Bayesian approach. In both methods, the underlying dynamic process modeled with the PDE model is represented via basis function expansion. For the parameter cascading method, we develop two nested levels of optimization to estimate the PDE parameters. For the Bayesian method, we develop a joint model for data and the PDE, and develop a novel hierarchical model allowing us to employ Markov chain Monte Carlo (MCMC) techniques to make posterior inference. Simulation studies show that the Bayesian method and parameter cascading method are comparable, and both outperform other available methods in terms of estimation accuracy. The two methods are demonstrated by estimating parameters in a PDE model from LIDAR data.

  6. The average kinetic energy of the heavy quark in Λb in the Bethe-Salpeter equation approach

    International Nuclear Information System (INIS)

    Guo, X.-H.; Wu, H.-K.

    2007-01-01

    In the previous paper, based on the SU(2) f xSU(2) s heavy quark symmetries of the QCD Lagrangian in the heavy quark limit, the Bethe-Salpeter equation for the heavy baryon Λ b was established with the picture that Λ b is composed of a heavy quark and a scalar light diquark. In the present work, we apply this model to calculate μ π 2 for Λ b , the average kinetic energy of the heavy quark inside Λ b . This quantity is particularly interesting since it can be measured in experiments and since it contributes to the inclusive semileptonic decays of Λ b when contributions from higher order terms in 1/M b expansions are taken into account and consequently influences the determination of the Cabibbo-Kobayashi-Maskawa matrix elements V ub and V cb . We find that μ π 2 for Λ b is 0.25GeV 2 ∼0.95GeV 2 , depending on the parameters in the model including the light diquark mass and the interaction strength between the heavy quark and the light diquark in the kernel of the BS equation. We also find that this result is consistent with the value of μ π 2 for Λ b which is derived from the experimental value of μ π 2 for the B meson with the aid of the heavy quark effective theory

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-01

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  9. Acceleration transforms and statistical kinetic models

    International Nuclear Information System (INIS)

    LuValle, M.J.; Welsher, T.L.; Svoboda, K.

    1988-01-01

    For a restricted class of problems a mathematical model of microscopic degradation processes, statistical kinetics, is developed and linked through acceleration transforms to the information which can be obtained from a system in which the only observable sign of degradation is sudden and catastrophic failure. The acceleration transforms were developed in accelerated life testing applications as a tool for extrapolating from the observable results of an accelerated life test to the dynamics of the underlying degradation processes. A particular concern of a physicist attempting to interpreted the results of an analysis based on acceleration transforms is determining the physical species involved in the degradation process. These species may be (a) relatively abundant or (b) relatively rare. The main results of this paper are a theorem showing that for an important subclass of statistical kinetic models, acceleration transforms cannot be used to distinguish between cases a and b, and an example showing that in some cases falling outside the restrictions of the theorem, cases a and b can be distinguished by their acceleration transforms

  10. Local energy equation for two-electron atoms and relation between kinetic energy and electron densities

    International Nuclear Information System (INIS)

    March, N.H.

    2002-08-01

    In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e 2 /r 12 , with r 12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)

  11. Partial differential equation models in macroeconomics.

    Science.gov (United States)

    Achdou, Yves; Buera, Francisco J; Lasry, Jean-Michel; Lions, Pierre-Louis; Moll, Benjamin

    2014-11-13

    The purpose of this article is to get mathematicians interested in studying a number of partial differential equations (PDEs) that naturally arise in macroeconomics. These PDEs come from models designed to study some of the most important questions in economics. At the same time, they are highly interesting for mathematicians because their structure is often quite difficult. We present a number of examples of such PDEs, discuss what is known about their properties, and list some open questions for future research. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  12. Structural equation modeling and natural systems

    Science.gov (United States)

    Grace, James B.

    2006-01-01

    This book, first published in 2006, presents an introduction to the methodology of structural equation modeling, illustrates its use, and goes on to argue that it has revolutionary implications for the study of natural systems. A major theme of this book is that we have, up to this point, attempted to study systems primarily using methods (such as the univariate model) that were designed only for considering individual processes. Understanding systems requires the capacity to examine simultaneous influences and responses. Structural equation modeling (SEM) has such capabilities. It also possesses many other traits that add strength to its utility as a means of making scientific progress. In light of the capabilities of SEM, it can be argued that much of ecological theory is currently locked in an immature state that impairs its relevance. It is further argued that the principles of SEM are capable of leading to the development and evaluation of multivariate theories of the sort vitally needed for the conservation of natural systems.

  13. MODELLING OF KINETICS OF FLUORINE ADSORPTION ONTO MODIFIED DIATOMITE

    Directory of Open Access Journals (Sweden)

    VEACESLAV ZELENTSOV

    2017-03-01

    Full Text Available The paper presents kinetics modelling of adsorption of fluorine onto modified diatomite, its fundamental characteristics and mathematical derivations. Three models of defluoridation kinetics were used to fit the experimental results on adsorption fluorine onto diatomite: the pseudo-first order model Lagergren, the pseudo-second order model G. McKay and H.S. Ho and intraparticle diffusion model of W.J. Weber and J.C. Morris. Kinetics studies revealed that the adsorption of fluorine followed second-order rate model, complimented by intraparticle diffusion kinetics. The adsorption mechanism of fluorine involved three stages – external surface adsorption, intraparticle diffusion and the stage of equilibrium.

  14. Holographic kinetic k-essence model

    Energy Technology Data Exchange (ETDEWEB)

    Cruz, Norman [Departamento de Fisica, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: ncruz@lauca.usach.cl; Gonzalez-Diaz, Pedro F.; Rozas-Fernandez, Alberto [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)], E-mail: a.rozas@cfmac.csic.es; Sanchez, Guillermo [Departamento de Matematica y Ciencia de la Computacion, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: gsanchez@usach.cl

    2009-08-31

    We consider a connection between the holographic dark energy density and the kinetic k-essence energy density in a flat FRW universe. With the choice c{>=}1, the holographic dark energy can be described by a kinetic k-essence scalar field in a certain way. In this Letter we show this kinetic k-essential description of the holographic dark energy with c{>=}1 and reconstruct the kinetic k-essence function F(X)

  15. Time-nonlocal kinetic equations, jerk and hyperjerk in plasmas and solar physics

    Science.gov (United States)

    El-Nabulsi, Rami Ahmad

    2018-06-01

    The simulation and analysis of nonlocal effects in fluids and plasmas is an inherently complicated problem due to the massive breadth of physics required to describe the nonlocal dynamics. This is a multi-physics problem that draws upon various miscellaneous fields, such as electromagnetism and statistical mechanics. In this paper we strive to focus on one narrow but motivating mathematical way: the derivation of nonlocal plasma-fluid equations from a generalized nonlocal Liouville derivative operator motivated from Suykens's nonlocal arguments. The paper aims to provide a guideline toward modeling nonlocal effects occurring in plasma-fluid systems by means of a generalized nonlocal Boltzmann equation. The generalized nonlocal equations of fluid dynamics are derived and their implications in plasma-fluid systems are addressed, discussed and analyzed. Three main topics were discussed: Landau damping in plasma electrodynamics, ideal MHD and solar wind. A number of features were revealed, analyzed and confronted with recent research results and observations.

  16. Mathematical modeling and the two-phase constitutive equations

    International Nuclear Information System (INIS)

    Boure, J.A.

    1975-01-01

    The problems raised by the mathematical modeling of two-phase flows are summarized. The models include several kinds of equations, which cannot be discussed independently, such as the balance equations and the constitutive equations. A review of the various two-phase one-dimensional models proposed to date, and of the constitutive equations they imply, is made. These models are either mixture models or two-fluid models. Due to their potentialities, the two-fluid models are discussed in more detail. To avoid contradictions, the form of the constitutive equations involved in two-fluid models must be sufficiently general. A special form of the two-fluid models, which has particular advantages, is proposed. It involves three mixture balance equations, three balance equations for slip and thermal non-equilibriums, and the necessary constitutive equations [fr

  17. Meta-analytic structural equation modelling

    CERN Document Server

    Jak, Suzanne

    2015-01-01

    This book explains how to employ MASEM, the combination of meta-analysis (MA) and structural equation modelling (SEM). It shows how by using MASEM, a single model can be tested to explain the relationships between a set of variables in several studies. This book gives an introduction to MASEM, with a focus on the state of the art approach: the two stage approach of Cheung and Cheung & Chan. Both, the fixed and the random approach to MASEM are illustrated with two applications to real data. All steps that have to be taken to perform the analyses are discussed extensively. All data and syntax files are available online, so that readers can imitate all analyses. By using SEM for meta-analysis, this book shows how to benefit from all available information from all available studies, even if few or none of the studies report about all relationships that feature in the full model of interest.

  18. Radio wave propagation and parabolic equation modeling

    CERN Document Server

    Apaydin, Gokhan

    2018-01-01

    A thorough understanding of electromagnetic wave propagation is fundamental to the development of sophisticated communication and detection technologies. The powerful numerical methods described in this book represent a major step forward in our ability to accurately model electromagnetic wave propagation in order to establish and maintain reliable communication links, to detect targets in radar systems, and to maintain robust mobile phone and broadcasting networks. The first new book on guided wave propagation modeling and simulation to appear in nearly two decades, Radio Wave Propagation and Parabolic Equation Modeling addresses the fundamentals of electromagnetic wave propagation generally, with a specific focus on radio wave propagation through various media. The authors explore an array of new applications, and detail various v rtual electromagnetic tools for solving several frequent electromagnetic propagation problems. All of the methods described are presented within the context of real-world scenari...

  19. Kinetic depletion model for pellet ablation

    International Nuclear Information System (INIS)

    Kuteev, Boris V.

    2001-11-01

    A kinetic model for depletion effect, which determines pellet ablation when the pellet passes a rational magnetic surface, is formulated. The model predicts a moderate decrease of the ablation rate compared with the earlier considered monoenergy versions [1, 2]. For typical T-10 conditions the ablation rate reduces by a reactor of 2.5 when the 1-mm pellet penetrates through the plasma center. A substantial deceleration of pellets -about 15% per centimeter of low shire rational q region; is predicted. Penetration for Low Field Side and High Field Side injections is considered taking into account modification of the electron distribution function by toroidal magnetic field. It is shown that Shafranov shift and toroidal effects yield the penetration length for HFS injection higher by a factor of 1.5. This fact should be taken into account when plasma-shielding effects on penetration are considered. (author)

  20. Second-order kinetic model for the sorption of cadmium onto tree fern: a comparison of linear and non-linear methods.

    Science.gov (United States)

    Ho, Yuh-Shan

    2006-01-01

    A comparison was made of the linear least-squares method and a trial-and-error non-linear method of the widely used pseudo-second-order kinetic model for the sorption of cadmium onto ground-up tree fern. Four pseudo-second-order kinetic linear equations are discussed. Kinetic parameters obtained from the four kinetic linear equations using the linear method differed but they were the same when using the non-linear method. A type 1 pseudo-second-order linear kinetic model has the highest coefficient of determination. Results show that the non-linear method may be a better way to obtain the desired parameters.

  1. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    International Nuclear Information System (INIS)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.

    2007-01-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions

  2. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

    Science.gov (United States)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

    2007-06-16

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  3. On the Use of Structural Equation Models in Marketing Modeling

    NARCIS (Netherlands)

    Steenkamp, J.E.B.M.; Baumgartner, H.

    2000-01-01

    We reflect on the role of structural equation modeling (SEM) in marketing modeling and managerial decision making. We discuss some benefits provided by SEM and alert marketing modelers to several recent developments in SEM in three areas: measurement analysis, analysis of cross-sectional data, and

  4. Utilization of integrated Michaelis-Menten equations for enzyme inhibition diagnosis and determination of kinetic constants using Solver supplement of Microsoft Office Excel.

    Science.gov (United States)

    Bezerra, Rui M F; Fraga, Irene; Dias, Albino A

    2013-01-01

    Enzyme kinetic parameters are usually determined from initial rates nevertheless, laboratory instruments only measure substrate or product concentration versus reaction time (progress curves). To overcome this problem we present a methodology which uses integrated models based on Michaelis-Menten equation. The most severe practical limitation of progress curve analysis occurs when the enzyme shows a loss of activity under the chosen assay conditions. To avoid this problem it is possible to work with the same experimental points utilized for initial rates determination. This methodology is illustrated by the use of integrated kinetic equations with the well-known reaction catalyzed by alkaline phosphatase enzyme. In this work nonlinear regression was performed with the Solver supplement (Microsoft Office Excel). It is easy to work with and track graphically the convergence of SSE (sum of square errors). The diagnosis of enzyme inhibition was performed according to Akaike information criterion. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  5. Modelling and parallel calculation of a kinetic boundary layer

    International Nuclear Information System (INIS)

    Perlat, Jean Philippe

    1998-01-01

    This research thesis aims at addressing reliability and cost issues in the calculation by numeric simulation of flows in transition regime. The first step has been to reduce calculation cost and memory space for the Monte Carlo method which is known to provide performance and reliability for rarefied regimes. Vector and parallel computers allow this objective to be reached. Here, a MIMD (multiple instructions, multiple data) machine has been used which implements parallel calculation at different levels of parallelization. Parallelization procedures have been adapted, and results showed that parallelization by calculation domain decomposition was far more efficient. Due to reliability issue related to the statistic feature of Monte Carlo methods, a new deterministic model was necessary to simulate gas molecules in transition regime. New models and hyperbolic systems have therefore been studied. One is chosen which allows thermodynamic values (density, average velocity, temperature, deformation tensor, heat flow) present in Navier-Stokes equations to be determined, and the equations of evolution of thermodynamic values are described for the mono-atomic case. Numerical resolution of is reported. A kinetic scheme is developed which complies with the structure of all systems, and which naturally expresses boundary conditions. The validation of the obtained 14 moment-based model is performed on shock problems and on Couette flows [fr

  6. A stochastic differential equation model of diurnal cortisol patterns

    Science.gov (United States)

    Brown, E. N.; Meehan, P. M.; Dempster, A. P.

    2001-01-01

    Circadian modulation of episodic bursts is recognized as the normal physiological pattern of diurnal variation in plasma cortisol levels. The primary physiological factors underlying these diurnal patterns are the ultradian timing of secretory events, circadian modulation of the amplitude of secretory events, infusion of the hormone from the adrenal gland into the plasma, and clearance of the hormone from the plasma by the liver. Each measured plasma cortisol level has an error arising from the cortisol immunoassay. We demonstrate that all of these three physiological principles can be succinctly summarized in a single stochastic differential equation plus measurement error model and show that physiologically consistent ranges of the model parameters can be determined from published reports. We summarize the model parameters in terms of the multivariate Gaussian probability density and establish the plausibility of the model with a series of simulation studies. Our framework makes possible a sensitivity analysis in which all model parameters are allowed to vary simultaneously. The model offers an approach for simultaneously representing cortisol's ultradian, circadian, and kinetic properties. Our modeling paradigm provides a framework for simulation studies and data analysis that should be readily adaptable to the analysis of other endocrine hormone systems.

  7. Kinetic model of excess activated sludge thermohydrolysis.

    Science.gov (United States)

    Imbierowicz, Mirosław; Chacuk, Andrzej

    2012-11-01

    Thermal hydrolysis of excess activated sludge suspensions was carried at temperatures ranging from 423 K to 523 K and under pressure 0.2-4.0 MPa. Changes of total organic carbon (TOC) concentration in a solid and liquid phase were measured during these studies. At the temperature 423 K, after 2 h of the process, TOC concentration in the reaction mixture decreased by 15-18% of the initial value. At 473 K total organic carbon removal from activated sludge suspension increased to 30%. It was also found that the solubilisation of particulate organic matter strongly depended on the process temperature. At 423 K the transfer of TOC from solid particles into liquid phase after 1 h of the process reached 25% of the initial value, however, at the temperature of 523 K the conversion degree of 'solid' TOC attained 50% just after 15 min of the process. In the article a lumped kinetic model of the process of activated sludge thermohydrolysis has been proposed. It was assumed that during heating of the activated sludge suspension to a temperature in the range of 423-523 K two parallel reactions occurred. One, connected with thermal destruction of activated sludge particles, caused solubilisation of organic carbon and an increase of dissolved organic carbon concentration in the liquid phase (hydrolysate). The parallel reaction led to a new kind of unsolvable solid phase, which was further decomposed into gaseous products (CO(2)). The collected experimental data were used to identify unknown parameters of the model, i.e. activation energies and pre-exponential factors of elementary reactions. The mathematical model of activated sludge thermohydrolysis appropriately describes the kinetics of reactions occurring in the studied system. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. Effective-field theory on the kinetic Ising model

    International Nuclear Information System (INIS)

    Shi Xiaoling; Wei Guozhu; Li Lin

    2008-01-01

    As an analytical method, the effective-field theory (EFT) is used to study the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field. The effective-field equations of motion of the average magnetization are given for the square lattice (Z=4) and the simple cubic lattice (Z=6), respectively. The dynamic order parameter, the hysteresis loop area and the dynamic correlation are calculated. In the field amplitude h 0 /ZJ-temperature T/ZJ plane, the phase boundary separating the dynamic ordered and the disordered phase has been drawn, and the dynamical tricritical point has been observed. We also make the compare results of EFT with that given by using the mean field theory (MFT)

  9. A discrete model of a modified Burgers' partial differential equation

    Science.gov (United States)

    Mickens, R. E.; Shoosmith, J. N.

    1990-01-01

    A new finite-difference scheme is constructed for a modified Burger's equation. Three special cases of the equation are considered, and the 'exact' difference schemes for the space- and time-independent forms of the equation are presented, along with the diffusion-free case of Burger's equation modeled by a difference equation. The desired difference scheme is then obtained by imposing on any difference model of the initial equation the requirement that, in the appropriate limits, its difference scheme must reduce the results of the obtained equations.

  10. Teaching Modeling with Partial Differential Equations: Several Successful Approaches

    Science.gov (United States)

    Myers, Joseph; Trubatch, David; Winkel, Brian

    2008-01-01

    We discuss the introduction and teaching of partial differential equations (heat and wave equations) via modeling physical phenomena, using a new approach that encompasses constructing difference equations and implementing these in a spreadsheet, numerically solving the partial differential equations using the numerical differential equation…

  11. The reservoir model: a differential equation model of psychological regulation.

    Science.gov (United States)

    Deboeck, Pascal R; Bergeman, C S

    2013-06-01

    Differential equation models can be used to describe the relationships between the current state of a system of constructs (e.g., stress) and how those constructs are changing (e.g., based on variable-like experiences). The following article describes a differential equation model based on the concept of a reservoir. With a physical reservoir, such as one for water, the level of the liquid in the reservoir at any time depends on the contributions to the reservoir (inputs) and the amount of liquid removed from the reservoir (outputs). This reservoir model might be useful for constructs such as stress, where events might "add up" over time (e.g., life stressors, inputs), but individuals simultaneously take action to "blow off steam" (e.g., engage coping resources, outputs). The reservoir model can provide descriptive statistics of the inputs that contribute to the "height" (level) of a construct and a parameter that describes a person's ability to dissipate the construct. After discussing the model, we describe a method of fitting the model as a structural equation model using latent differential equation modeling and latent distribution modeling. A simulation study is presented to examine recovery of the input distribution and output parameter. The model is then applied to the daily self-reports of negative affect and stress from a sample of older adults from the Notre Dame Longitudinal Study on Aging. (PsycINFO Database Record (c) 2013 APA, all rights reserved).

  12. Algorithm development and verification of UASCM for multi-dimension and multi-group neutron kinetics model

    International Nuclear Information System (INIS)

    Si, S.

    2012-01-01

    The Universal Algorithm of Stiffness Confinement Method (UASCM) for neutron kinetics model of multi-dimensional and multi-group transport equations or diffusion equations has been developed. The numerical experiments based on transport theory code MGSNM and diffusion theory code MGNEM have demonstrated that the algorithm has sufficient accuracy and stability. (authors)

  13. Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

    Science.gov (United States)

    Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2018-08-01

    The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

  14. A discontinuous Galerkin method on kinetic flocking models

    OpenAIRE

    Tan, Changhui

    2014-01-01

    We study kinetic representations of flocking models. They arise from agent-based models for self-organized dynamics, such as Cucker-Smale and Motsch-Tadmor models. We prove flocking behavior for the kinetic descriptions of flocking systems, which indicates a concentration in velocity variable in infinite time. We propose a discontinuous Galerkin method to treat the asymptotic $\\delta$-singularity, and construct high order positive preserving scheme to solve kinetic flocking systems.

  15. A Derivation of Source-based Kinetics Equation with Time Dependent Fission Kernel for Reactor Transient Analyses

    International Nuclear Information System (INIS)

    Kim, Song Hyun; Woo, Myeong Hyun; Shin, Chang Ho; Pyeon, Cheol Ho

    2015-01-01

    In this study, a new balance equation to overcome the problems generated by the previous methods is proposed using source-based balance equation. And then, a simple problem is analyzed with the proposed method. In this study, a source-based balance equation with the time dependent fission kernel was derived to simplify the kinetics equation. To analyze the partial variations of reactor characteristics, two representative methods were introduced in previous studies; (1) quasi-statics method and (2) multipoint technique. The main idea of quasistatics method is to use a low-order approximation for large integration times. To realize the quasi-statics method, first, time dependent flux is separated into the shape and amplitude functions, and shape function is calculated. It is noted that the method has a good accuracy; however, it can be expensive as a calculation cost aspect because the shape function should be fully recalculated to obtain accurate results. To improve the calculation efficiency, multipoint method was proposed. The multipoint method is based on the classic kinetics equation with using Green's function to analyze the flight probability from region r' to r. Those previous methods have been used to analyze the reactor kinetics analysis; however, the previous methods can have some limitations. First, three group variables (r g , E g , t g ) should be considered to solve the time dependent balance equation. This leads a big limitation to apply large system problem with good accuracy. Second, the energy group neutrons should be used to analyze reactor kinetics problems. In time dependent problem, neutron energy distribution can be changed at different time. It can affect the change of the group cross section; therefore, it can lead the accuracy problem. Third, the neutrons in a space-time region continually affect the other space-time regions; however, it is not properly considered in the previous method. Using birth history of the neutron sources

  16. A Derivation of Source-based Kinetics Equation with Time Dependent Fission Kernel for Reactor Transient Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Song Hyun; Woo, Myeong Hyun; Shin, Chang Ho [Hanyang University, Seoul (Korea, Republic of); Pyeon, Cheol Ho [Kyoto University, Osaka (Japan)

    2015-10-15

    In this study, a new balance equation to overcome the problems generated by the previous methods is proposed using source-based balance equation. And then, a simple problem is analyzed with the proposed method. In this study, a source-based balance equation with the time dependent fission kernel was derived to simplify the kinetics equation. To analyze the partial variations of reactor characteristics, two representative methods were introduced in previous studies; (1) quasi-statics method and (2) multipoint technique. The main idea of quasistatics method is to use a low-order approximation for large integration times. To realize the quasi-statics method, first, time dependent flux is separated into the shape and amplitude functions, and shape function is calculated. It is noted that the method has a good accuracy; however, it can be expensive as a calculation cost aspect because the shape function should be fully recalculated to obtain accurate results. To improve the calculation efficiency, multipoint method was proposed. The multipoint method is based on the classic kinetics equation with using Green's function to analyze the flight probability from region r' to r. Those previous methods have been used to analyze the reactor kinetics analysis; however, the previous methods can have some limitations. First, three group variables (r{sub g}, E{sub g}, t{sub g}) should be considered to solve the time dependent balance equation. This leads a big limitation to apply large system problem with good accuracy. Second, the energy group neutrons should be used to analyze reactor kinetics problems. In time dependent problem, neutron energy distribution can be changed at different time. It can affect the change of the group cross section; therefore, it can lead the accuracy problem. Third, the neutrons in a space-time region continually affect the other space-time regions; however, it is not properly considered in the previous method. Using birth history of the

  17. Parameter Estimation of Partial Differential Equation Models

    KAUST Repository

    Xun, Xiaolei

    2013-09-01

    Partial differential equation (PDE) models are commonly used to model complex dynamic systems in applied sciences such as biology and finance. The forms of these PDE models are usually proposed by experts based on their prior knowledge and understanding of the dynamic system. Parameters in PDE models often have interesting scientific interpretations, but their values are often unknown and need to be estimated from the measurements of the dynamic system in the presence of measurement errors. Most PDEs used in practice have no analytic solutions, and can only be solved with numerical methods. Currently, methods for estimating PDE parameters require repeatedly solving PDEs numerically under thousands of candidate parameter values, and thus the computational load is high. In this article, we propose two methods to estimate parameters in PDE models: a parameter cascading method and a Bayesian approach. In both methods, the underlying dynamic process modeled with the PDE model is represented via basis function expansion. For the parameter cascading method, we develop two nested levels of optimization to estimate the PDE parameters. For the Bayesian method, we develop a joint model for data and the PDE and develop a novel hierarchical model allowing us to employ Markov chain Monte Carlo (MCMC) techniques to make posterior inference. Simulation studies show that the Bayesian method and parameter cascading method are comparable, and both outperform other available methods in terms of estimation accuracy. The two methods are demonstrated by estimating parameters in a PDE model from long-range infrared light detection and ranging data. Supplementary materials for this article are available online. © 2013 American Statistical Association.

  18. The Cauchy problem for the Bogolyubov hierarchy of equations. The BCS model

    International Nuclear Information System (INIS)

    Vidybida, A.K.

    1975-01-01

    A chain of Bogolyubov's kinetic equations for an infinite quantum system of particles distributed in space with the mean density 1/V and interacting with the BCS model operator is considered as a single abstract equation in some countable normalized space bsup(v) of sequences of integral operators. In this case an unique solution of the Cauchy problem has been obtained at arbitrary initial conditions from bsup(v), stationary solutions of the equation have been derived, and the class of the initial conditions which approach to stationary ones is indicated

  19. Electron kinetics with attachment and ionization from higher order solutions of Boltzmann's equation

    International Nuclear Information System (INIS)

    Winkler, R.; Wilhelm, J.; Braglia, G.L.

    1989-01-01

    An appropriate approach is presented for solving the Boltzmann equation for electron swarms and nonstationary weakly ionized plasmas in the hydrodynamic stage, including ionization and attachment processes. Using a Legendre-polynomial expansion of the electron velocity distribution function the resulting eigenvalue problem has been solved at any even truncation-order. The technique has been used to study velocity distribution, mean collision frequencies, energy transfer rates, nonstationary behaviour and power balance in hydrodynamic stage, of electrons in a model plasma and a plasma of pure SF 6 . The calculations have been performed for increasing approximation-orders, up to the converged solution of the problem. In particular, the transition from dominant attachment to prevailing ionization when increasing the field strength has been studied. Finally the establishment of the hydrodynamic stage for a selected case in the model plasma has been investigated by solving the nonstationary, spatially homogeneous Boltzmann equation in twoterm approximation. (author)

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-05-15

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

  2. Challenges for the kinetic unified dark matter model

    International Nuclear Information System (INIS)

    Giannakis, Dimitrios; Hu, Wayne

    2005-01-01

    Given that the dark matter and dark energy in the Universe affect cosmological observables only gravitationally, their phenomenology may be described by a single stress-energy tensor. True unification however requires a theory that reproduces the successful phenomenology of ΛCDM and that requirement places specific constraints on the stress structure of the matter. We show that a recently proposed unification through an offset quadratic kinetic term for a scalar field is exactly equivalent to a fluid with a closed-form barotropic equation of state plus cosmological constant. The finite pressure at high densities introduces a cutoff in the linear power spectrum, which may alleviate the dark matter substructure problem; we provide a convenient fitting function for such studies. Given that sufficient power must remain to reionize the Universe, the equation of state today is nonrelativistic with p∝ρ 2 and a Jeans scale in the parsec regime for all relevant densities. Structure may then be evolved into the nonlinear regime with standard hydrodynamic techniques. In fact, the model is equivalent to the well-studied collisional dark matter with negligible mean free path. If recent observations of the triaxiality of dark matter halos and ram pressure stripping in galaxy clusters are confirmed, this model will be ruled out

  3. Laplace transform in tracer kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Hauser, Eliete B., E-mail: eliete@pucrs.br [Instituto do Cerebro (InsCer/FAMAT/PUC-RS), Porto Alegre, RS, (Brazil). Faculdade de Matematica

    2013-07-01

    The main objective this paper is to quantify the pharmacokinetic processes: absorption, distribution and elimination of radiopharmaceutical(tracer), using Laplace transform method. When the drug is administered intravenously absorption is complete and is available in the bloodstream to be distributed throughout the whole body in all tissues and fluids, and to be eliminated. Mathematical modeling seeks to describe the processes of distribution and elimination through compartments, where distinct pools of tracer (spatial location or chemical state) are assigned to different compartments. A compartment model is described by a system of differential equations, where each equation represents the sum of all the transfer rates to and from a specific compartment. In this work a two-tissue irreversible compartment model is used for description of tracer, [{sup 18}F]2-fluor-2deoxy-D-glucose. In order to determine the parameters of the model, it is necessary to have information about the tracer delivery in the form of an input function representing the time-course of tracer concentration in arterial blood or plasma. We estimate the arterial input function in two stages and apply the Levenberg-Marquardt Method to solve nonlinear regressions. The transport of FDG across de arterial blood is very fast in the first ten minutes and then decreases slowly. We use de Heaviside function to represent this situation and this is the main contribution of this study. We apply the Laplace transform and the analytical solution for two-tissue irreversible compartment model is obtained. The only approach is to determinate de arterial input function. (author)

  4. Efficient kinetic method for fluid simulation beyond the Navier-Stokes equation.

    Science.gov (United States)

    Zhang, Raoyang; Shan, Xiaowen; Chen, Hudong

    2006-10-01

    We present a further theoretical extension to the kinetic-theory-based formulation of the lattice Boltzmann method of Shan [J. Fluid Mech. 550, 413 (2006)]. In addition to the higher-order projection of the equilibrium distribution function and a sufficiently accurate Gauss-Hermite quadrature in the original formulation, a regularization procedure is introduced in this paper. This procedure ensures a consistent order of accuracy control over the nonequilibrium contributions in the Galerkin sense. Using this formulation, we construct a specific lattice Boltzmann model that accurately incorporates up to third-order hydrodynamic moments. Numerical evidence demonstrates that the extended model overcomes some major defects existing in conventionally known lattice Boltzmann models, so that fluid flows at finite Knudsen number Kn can be more quantitatively simulated. Results from force-driven Poiseuille flow simulations predict the Knudsen's minimum and the asymptotic behavior of flow flux at large Kn.

  5. Solution of spatially homogeneous model Boltzmann equations by means of Lie groups of transformations

    International Nuclear Information System (INIS)

    Foroutan, A.

    1992-05-01

    The essential mathematical challenge in transport theory is based on the nonlinearity of the integro-differential equations governing classical thermodynamic systems on molecular kinetic level. It is the aim of this thesis to gain exact analytical solutions to the model Boltzmann equation suggested by Tjon and Wu. Such solutions afford a deeper insight into the dynamics of rarefied gases. Tjon and Wu have provided a stochastic model of a Boltzmann equation. Its transition probability depends only on the relative speed of the colliding particles. This assumption leads in the case of two translational degrees of freedom to an integro-differential equation of convolution type. According to this convolution structure the integro-differential equation is Laplace transformed. The result is a nonlinear partial differential equation. The investigation of the symmetries of this differential equation by means of Lie groups of transformation enables us to transform the originally nonlinear partial differential equation into ordinary differential equation into ordinary differential equations of Bernoulli type. (author)

  6. Robust estimation for ordinary differential equation models.

    Science.gov (United States)

    Cao, J; Wang, L; Xu, J

    2011-12-01

    Applied scientists often like to use ordinary differential equations (ODEs) to model complex dynamic processes that arise in biology, engineering, medicine, and many other areas. It is interesting but challenging to estimate ODE parameters from noisy data, especially when the data have some outliers. We propose a robust method to address this problem. The dynamic process is represented with a nonparametric function, which is a linear combination of basis functions. The nonparametric function is estimated by a robust penalized smoothing method. The penalty term is defined with the parametric ODE model, which controls the roughness of the nonparametric function and maintains the fidelity of the nonparametric function to the ODE model. The basis coefficients and ODE parameters are estimated in two nested levels of optimization. The coefficient estimates are treated as an implicit function of ODE parameters, which enables one to derive the analytic gradients for optimization using the implicit function theorem. Simulation studies show that the robust method gives satisfactory estimates for the ODE parameters from noisy data with outliers. The robust method is demonstrated by estimating a predator-prey ODE model from real ecological data. © 2011, The International Biometric Society.

  7. Pyrolysis Kinetic Modelling of Wheat Straw from the Pannonian Region

    Directory of Open Access Journals (Sweden)

    Ivan Pešenjanski

    2016-01-01

    Full Text Available The pyrolysis/devolatilization is a basic step of thermochemical processes and requires fundamental characterization. In this paper, the kinetic model of pyrolysis is specified as a one-step global reaction. This type of reaction is used to describe the thermal degradation of wheat straw samples by measuring rates of mass loss of solid matter at a linear increase in temperature. The mentioned experiments were carried out using a derivatograph in an open-air environment. The influence of different factors was investigated, such as particle size, humidity levels, and the heating rate in the kinetics of devolatilization. As the measured values of mass loss and temperature functions transform in Arrhenius coordinates, the results are shown in the form of saddle curves. Such characteristics cannot be approximated with one equation in the form of Arrhenius law. For use in numerical applications, transformed functions can be approximated by linear regression for three separate intervals. Analysis of measurement resulting in granulation and moisture content variations shows that these factors have no significant influence. Tests of heating rate variations confirm the significance of this impact, especially in warmer regions. The influence of this factor should be more precisely investigated as a general variable, which should be the topic of further experiments.

  8. Structural equation models from paths to networks

    CERN Document Server

    Westland, J Christopher

    2015-01-01

    This compact reference surveys the full range of available structural equation modeling (SEM) methodologies.  It reviews applications in a broad range of disciplines, particularly in the social sciences where many key concepts are not directly observable.  This is the first book to present SEM’s development in its proper historical context–essential to understanding the application, strengths and weaknesses of each particular method.  This book also surveys the emerging path and network approaches that complement and enhance SEM, and that will grow in importance in the near future.  SEM’s ability to accommodate unobservable theory constructs through latent variables is of significant importance to social scientists.  Latent variable theory and application are comprehensively explained, and methods are presented for extending their power, including guidelines for data preparation, sample size calculation, and the special treatment of Likert scale data.  Tables of software, methodologies and fit st...

  9. Thermoluminescence of zircon: a kinetic model

    CERN Document Server

    Turkin, A A; Vainshtein, D I; Hartog, H W D

    2003-01-01

    The mineral zircon, ZrSiO sub 4 , belongs to a class of promising materials for geochronometry by means of thermoluminescence (TL) dating. The development of a reliable and reproducible method for TL dating with zircon requires detailed knowledge of the processes taking place during exposure to ionizing radiation, long-term storage, annealing at moderate temperatures and heating at a constant rate (TL measurements). To understand these processes one needs a kinetic model of TL. This paper is devoted to the construction of such a model. The goal is to study the qualitative behaviour of the system and to determine the parameters and processes controlling TL phenomena of zircon. The model considers the following processes: (i) Filling of electron and hole traps at the excitation stage as a function of the dose rate and the dose for both (low dose rate) natural and (high dose rate) laboratory irradiation. (ii) Time dependence of TL fading in samples irradiated under laboratory conditions. (iii) Short time anneali...

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

    Energy Technology Data Exchange (ETDEWEB)

    Washington, K.E.

    1986-05-01

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

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

    International Nuclear Information System (INIS)

    Washington, K.E.

    1986-05-01

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

  12. Analytic method study of point-reactor kinetic equation when cold start-up

    International Nuclear Information System (INIS)

    Zhang Fan; Chen Wenzhen; Gui Xuewen

    2008-01-01

    The reactor cold start-up is a process of inserting reactivity by lifting control rod discontinuously. Inserting too much reactivity will cause short-period and may cause an overpressure accident in the primary loop. It is therefore very important to understand the rule of neutron density variation and to find out the relationships among the speed of lifting control rod, and the duration and speed of neutron density response. It is also helpful for the operators to grasp the rule in order to avoid a start-up accident. This paper starts with one-group delayed neutron point-reactor kinetics equations and provides their analytic solution when reactivity is introduced by lifting control rods discontinuously. The analytic expression is validated by comparison with practical data. It is shown that the analytic solution agrees well with numerical solution. Using this analytical solution, the relationships among neutron density response with the speed of lifting control rod and its duration are also studied. By comparing the results with those under the condition of step inserted reactivity, useful conclusions are drawn

  13. Development, validation and application of multi-point kinetics model in RELAP5 for analysis of asymmetric nuclear transients

    Energy Technology Data Exchange (ETDEWEB)

    Pradhan, Santosh K., E-mail: santosh@aerb.gov.in [Nuclear Safety Analysis Division, Atomic Energy Regulatory Board, Mumbai 400094 (India); Obaidurrahman, K. [Nuclear Safety Analysis Division, Atomic Energy Regulatory Board, Mumbai 400094 (India); Iyer, Kannan N. [Department of Mechanical Engineering, IIT Bombay, Mumbai 400076 (India); Gaikwad, Avinash J. [Nuclear Safety Analysis Division, Atomic Energy Regulatory Board, Mumbai 400094 (India)

    2016-04-15

    Highlights: • A multi-point kinetics model is developed for RELAP5 system thermal hydraulics code. • Model is validated against extensive 3D kinetics code. • RELAP5 multi-point kinetics formulation is used to investigate critical break for LOCA in PHWR. - Abstract: Point kinetics approach in system code RELAP5 limits its use for many of the reactivity induced transients, which involve asymmetric core behaviour. Development of fully coupled 3D core kinetics code with system thermal-hydraulics is the ultimate requirement in this regard; however coupling and validation of 3D kinetics module with system code is cumbersome and it also requires access to source code. An intermediate approach with multi-point kinetics is appropriate and relatively easy to implement for analysis of several asymmetric transients for large cores. Multi-point kinetics formulation is based on dividing the entire core into several regions and solving ODEs describing kinetics in each region. These regions are interconnected by spatial coupling coefficients which are estimated from diffusion theory approximation. This model offers an advantage that associated ordinary differential equations (ODEs) governing multi-point kinetics formulation can be solved using numerical methods to the desired level of accuracy and thus allows formulation based on user defined control variables, i.e., without disturbing the source code and hence also avoiding associated coupling issues. Euler's method has been used in the present formulation to solve several coupled ODEs internally at each time step. The results have been verified against inbuilt point-kinetics models of RELAP5 and validated against 3D kinetics code TRIKIN. The model was used to identify the critical break in RIH of a typical large PHWR core. The neutronic asymmetry produced in the core due to the system induced transient was effectively handled by the multi-point kinetics model overcoming the limitation of in-built point kinetics model

  14. Ordinary differential equations and Boolean networks in application to modelling of 6-mercaptopurine metabolism.

    Science.gov (United States)

    Lavrova, Anastasia I; Postnikov, Eugene B; Zyubin, Andrey Yu; Babak, Svetlana V

    2017-04-01

    We consider two approaches to modelling the cell metabolism of 6-mercaptopurine, one of the important chemotherapy drugs used for treating acute lymphocytic leukaemia: kinetic ordinary differential equations, and Boolean networks supplied with one controlling node, which takes continual values. We analyse their interplay with respect to taking into account ATP concentration as a key parameter of switching between different pathways. It is shown that the Boolean networks, which allow avoiding the complexity of general kinetic modelling, preserve the possibility of reproducing the principal switching mechanism.

  15. Climate models with delay differential equations

    Science.gov (United States)

    Keane, Andrew; Krauskopf, Bernd; Postlethwaite, Claire M.

    2017-11-01

    A fundamental challenge in mathematical modelling is to find a model that embodies the essential underlying physics of a system, while at the same time being simple enough to allow for mathematical analysis. Delay differential equations (DDEs) can often assist in this goal because, in some cases, only the delayed effects of complex processes need to be described and not the processes themselves. This is true for some climate systems, whose dynamics are driven in part by delayed feedback loops associated with transport times of mass or energy from one location of the globe to another. The infinite-dimensional nature of DDEs allows them to be sufficiently complex to reproduce realistic dynamics accurately with a small number of variables and parameters. In this paper, we review how DDEs have been used to model climate systems at a conceptual level. Most studies of DDE climate models have focused on gaining insights into either the global energy balance or the fundamental workings of the El Niño Southern Oscillation (ENSO) system. For example, studies of DDEs have led to proposed mechanisms for the interannual oscillations in sea-surface temperature that is characteristic of ENSO, the irregular behaviour that makes ENSO difficult to forecast and the tendency of El Niño events to occur near Christmas. We also discuss the tools used to analyse such DDE models. In particular, the recent development of continuation software for DDEs makes it possible to explore large regions of parameter space in an efficient manner in order to provide a "global picture" of the possible dynamics. We also point out some directions for future research, including the incorporation of non-constant delays, which we believe could improve the descriptive power of DDE climate models.

  16. Climate models with delay differential equations.

    Science.gov (United States)

    Keane, Andrew; Krauskopf, Bernd; Postlethwaite, Claire M

    2017-11-01

    A fundamental challenge in mathematical modelling is to find a model that embodies the essential underlying physics of a system, while at the same time being simple enough to allow for mathematical analysis. Delay differential equations (DDEs) can often assist in this goal because, in some cases, only the delayed effects of complex processes need to be described and not the processes themselves. This is true for some climate systems, whose dynamics are driven in part by delayed feedback loops associated with transport times of mass or energy from one location of the globe to another. The infinite-dimensional nature of DDEs allows them to be sufficiently complex to reproduce realistic dynamics accurately with a small number of variables and parameters. In this paper, we review how DDEs have been used to model climate systems at a conceptual level. Most studies of DDE climate models have focused on gaining insights into either the global energy balance or the fundamental workings of the El Niño Southern Oscillation (ENSO) system. For example, studies of DDEs have led to proposed mechanisms for the interannual oscillations in sea-surface temperature that is characteristic of ENSO, the irregular behaviour that makes ENSO difficult to forecast and the tendency of El Niño events to occur near Christmas. We also discuss the tools used to analyse such DDE models. In particular, the recent development of continuation software for DDEs makes it possible to explore large regions of parameter space in an efficient manner in order to provide a "global picture" of the possible dynamics. We also point out some directions for future research, including the incorporation of non-constant delays, which we believe could improve the descriptive power of DDE climate models.

  17. On the asymptotic preserving property of the unified gas kinetic scheme for the diffusion limit of linear kinetic models

    International Nuclear Information System (INIS)

    Mieussens, Luc

    2013-01-01

    The unified gas kinetic scheme (UGKS) of K. Xu et al. (2010) [37], originally developed for multiscale gas dynamics problems, is applied in this paper to a linear kinetic model of radiative transfer theory. While such problems exhibit purely diffusive behavior in the optically thick (or small Knudsen) regime, we prove that UGKS is still asymptotic preserving (AP) in this regime, but for the free transport regime as well. Moreover, this scheme is modified to include a time implicit discretization of the limit diffusion equation, and to correctly capture the solution in case of boundary layers. Contrary to many AP schemes, this method is based on a standard finite volume approach, it does neither use any decomposition of the solution, nor staggered grids. Several numerical tests demonstrate the properties of the scheme

  18. Supercritical kinetic analysis in simplified system of fuel debris using integral kinetic model

    International Nuclear Information System (INIS)

    Tuya, Delgersaikhan; Obara, Toru

    2016-01-01

    Highlights: • Kinetic analysis in simplified weakly coupled fuel debris system was performed. • The integral kinetic model was used to simulate criticality accidents. • The fission power and released energy during simulated accident were obtained. • Coupling between debris regions and its effect on the fission power was obtained. - Abstract: Preliminary prompt supercritical kinetic analyses in a simplified coupled system of fuel debris designed to roughly resemble a melted core of a nuclear reactor were performed using an integral kinetic model. The integral kinetic model, which can describe region- and time-dependent fission rate in a coupled system of arbitrary geometry, was used because the fuel debris system is weakly coupled in terms of neutronics. The results revealed some important characteristics of coupled systems, such as the coupling between debris regions and the effect of the coupling on the fission rate and released energy in each debris region during the simulated criticality accident. In brief, this study showed that the integral kinetic model can be applied to supercritical kinetic analysis in fuel debris systems and also that it can be a useful tool for investigating the effect of the coupling on consequences of a supercritical accident.

  19. A high-order method for the integration of the Galerkin semi-discretized nuclear reactor kinetics equations

    International Nuclear Information System (INIS)

    Vargas, L.

    1988-01-01

    The numerical approximate solution of the space-time nuclear reactor kinetics equation is investigated using a finite-element discretization of the space variable and a high order integration scheme for the resulting semi-discretized parabolic equation. The Galerkin method with spatial piecewise polynomial Lagrange basis functions are used to obtained a continuous time semi-discretized form of the space-time reactor kinetics equation. A temporal discretization is then carried out with a numerical scheme based on the Iterated Defect Correction (IDC) method using piecewise quadratic polynomials or exponential functions. The kinetics equations are thus solved with in a general finite element framework with respect to space as well as time variables in which the order of convergence of the spatial and temporal discretizations is consistently high. A computer code GALFEM/IDC is developed, to implement the numerical schemes described above. This issued to solve a one space dimensional benchmark problem. The results of the numerical experiments confirm the theoretical arguments and show that the convergence is very fast and the overall procedure is quite efficient. This is due to the good asymptotic properties of the numerical scheme which is of third order in the time interval

  20. Kinetic modeling in pre-clinical positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Kuntner, Claudia [AIT Austrian Institute of Technology GmbH, Seibersdorf (Austria). Biomedical Systems, Health and Environment Dept.

    2014-07-01

    Pre-clinical positron emission tomography (PET) has evolved in the last few years from pure visualization of radiotracer uptake and distribution towards quantification of the physiological parameters. For reliable and reproducible quantification the kinetic modeling methods used to obtain relevant parameters of radiotracer tissue interaction are important. Here we present different kinetic modeling techniques with a focus on compartmental models including plasma input models and reference tissue input models. The experimental challenges of deriving the plasma input function in rodents and the effect of anesthesia are discussed. Finally, in vivo application of kinetic modeling in various areas of pre-clinical research is presented and compared to human data.

  1. Degradation kinetics and assessment of the prediction equation of indigestible fraction of neutral detergent fiber from agroindustrial byproducts

    Directory of Open Access Journals (Sweden)

    José Gilson Louzada Regadas Filho

    2011-09-01

    Full Text Available This study aimed at estimating the kinetic parameters of ruminal degradation of neutral detergent fiber from agroindustrial byproducts of cashew (pulp and cashew nut, passion fruit, melon, pineapple, West Indian cherry, grape, annatto and coconut through the gravimetric technique of nylon bag, and to evaluate the prediction equation of indigestible fraction of neutral detergent fiber suggested by the Cornell Net Carbohydrate and Protein System. Samples of feed crushed to 2 mm were placed in 7 × 14 cm nylon bags with porosity of 50 µm in a ratio of 20 g DM/cm² and incubated in duplicate in the rumen of a heifer at 0, 3, 6, 9, 12, 16, 24, 36, 48, 72, 96 and 144 hours. The incubation residues were analyzed for NDF content and evaluated by a non-linear logistic model. The evaluation process of predicting the indigestible fraction of NDF was carried out through adjustment of linear regression models between predicted and observed values. There was a wide variation in the degradation parameters of NDF among byproducts. The degradation rate of NDF ranged from 0.0267 h-1 to 0.0971 h-1 for grape and West Indian cherry, respectively. The potentially digestible fraction of NDF ranged from 4.17 to 90.67%, respectively, for melon and coconut byproducts. The CNCPS equation was sensitive to predict the indigestible fraction of neutral detergent fiber of the byproducts. However, due to the high value of the mean squared error of prediction, such estimates are very variable; hence the most suitable would be estimation by biological methods.

  2. Semi-continuous and multigroup models in extended kinetic theory

    International Nuclear Information System (INIS)

    Koller, W.

    2000-01-01

    The aim of this thesis is to study energy discretization of the Boltzmann equation in the framework of extended kinetic theory. In case that external fields can be neglected, the semi- continuous Boltzmann equation yields a sound basis for various generalizations. Semi-continuous kinetic equations describing a three component gas mixture interacting with monochromatic photons as well as a four component gas mixture undergoing chemical reactions are established and investigated. These equations reflect all major aspects (conservation laws, equilibria, H-theorem) of the full continuous kinetic description. For the treatment of the spatial dependence, an expansion of the distribution function in terms of Legendre polynomials is carried out. An implicit finite differencing scheme is combined with the operator splitting method. The obtained numerical schemes are applied to the space homogeneous study of binary chemical reactions and to spatially one-dimensional laser-induced acoustic waves. In the presence of external fields, the developed overlapping multigroup approach (with the spline-interpolation as its extension) is well suited for numerical studies. Furthermore, two formulations of consistent multigroup approaches to the non-linear Boltzmann equation are presented. (author)

  3. The instability in the long-time regime of a kinetic model: II

    International Nuclear Information System (INIS)

    Sanda, F

    2003-01-01

    The kinetic model of an open system, which embodies an instability in long time regime behaviour, is referred. This result questions some approximations which are standardly used in open system treatments. The deficiency in kinetic treatments was recently referred to as mainly a mathematical curiosity; however, in the present work the application for a physically comprehensive situation is shown. We simplified the previously treated model, which enables us to proceed easily with just pen and paper and to omit numerical modelling whose justification causes difficulties to the reader. We draw some consequences on the found instability, both with respect to the perturbative origin of kinetic equations and also concerning the very philosophy of physical modelling

  4. Bayesian inference for hybrid discrete-continuous stochastic kinetic models

    International Nuclear Information System (INIS)

    Sherlock, Chris; Golightly, Andrew; Gillespie, Colin S

    2014-01-01

    We consider the problem of efficiently performing simulation and inference for stochastic kinetic models. Whilst it is possible to work directly with the resulting Markov jump process (MJP), computational cost can be prohibitive for networks of realistic size and complexity. In this paper, we consider an inference scheme based on a novel hybrid simulator that classifies reactions as either ‘fast’ or ‘slow’ with fast reactions evolving as a continuous Markov process whilst the remaining slow reaction occurrences are modelled through a MJP with time-dependent hazards. A linear noise approximation (LNA) of fast reaction dynamics is employed and slow reaction events are captured by exploiting the ability to solve the stochastic differential equation driving the LNA. This simulation procedure is used as a proposal mechanism inside a particle MCMC scheme, thus allowing Bayesian inference for the model parameters. We apply the scheme to a simple application and compare the output with an existing hybrid approach and also a scheme for performing inference for the underlying discrete stochastic model. (paper)

  5. Numerical nodal simulation of the axial power distribution within nuclear reactors using a kinetics diffusion model. I

    International Nuclear Information System (INIS)

    Barros, R.C. de.

    1992-05-01

    Presented here is a new numerical nodal method for the simulation of the axial power distribution within nuclear reactors using the one-dimensional one speed kinetics diffusion model with one group of delayed neutron precursors. Our method is based on a spectral analysis of the nodal kinetics equations. These equations are obtained by integrating the original kinetics equations separately over a time step and over a spatial node, and then considering flat approximations for the forward difference terms. These flat approximations are the only approximations that are considered in the method. As a result, the spectral nodal method for space - time reactor kinetics generates numerical solutions for space independent problems or for time independent problems that are completely free from truncation errors. We show numerical results to illustrate the method's accuracy for coarse mesh calculations. (author)

  6. Fitting ARMA Time Series by Structural Equation Models.

    Science.gov (United States)

    van Buuren, Stef

    1997-01-01

    This paper outlines how the stationary ARMA (p,q) model (G. Box and G. Jenkins, 1976) can be specified as a structural equation model. Maximum likelihood estimates for the parameters in the ARMA model can be obtained by software for fitting structural equation models. The method is applied to three problem types. (SLD)

  7. Performance of neutron kinetics models for ADS transient analyses

    International Nuclear Information System (INIS)

    Rineiski, A.; Maschek, W.; Rimpault, G.

    2002-01-01

    Within the framework of the SIMMER code development, neutron kinetics models for simulating transients and hypothetical accidents in advanced reactor systems, in particular in Accelerator Driven Systems (ADSs), have been developed at FZK/IKET in cooperation with CE Cadarache. SIMMER is a fluid-dynamics/thermal-hydraulics code, coupled with a structure model and a space-, time- and energy-dependent neutronics module for analyzing transients and accidents. The advanced kinetics models have also been implemented into KIN3D, a module of the VARIANT/TGV code (stand-alone neutron kinetics) for broadening application and for testing and benchmarking. In the paper, a short review of the SIMMER and KIN3D neutron kinetics models is given. Some typical transients related to ADS perturbations are analyzed. The general models of SIMMER and KIN3D are compared with more simple techniques developed in the context of this work to get a better understanding of the specifics of transients in subcritical systems and to estimate the performance of different kinetics options. These comparisons may also help in elaborating new kinetics models and extending existing computation tools for ADS transient analyses. The traditional point-kinetics model may give rather inaccurate transient reaction rate distributions in an ADS even if the material configuration does not change significantly. This inaccuracy is not related to the problem of choosing a 'right' weighting function: the point-kinetics model with any weighting function cannot take into account pronounced flux shape variations related to possible significant changes in the criticality level or to fast beam trips. To improve the accuracy of the point-kinetics option for slow transients, we have introduced a correction factor technique. The related analyses give a better understanding of 'long-timescale' kinetics phenomena in the subcritical domain and help to evaluate the performance of the quasi-static scheme in a particular case. One

  8. Numerical Calculation of Transport Based on the Drift-Kinetic Equation for Plasmas in General Toroidal Magnetic Geometry: Numerical Methods

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    In this report we continue with the description of a newly developed numerical method to solve the drift kinetic equation for ions and electrons in toroidal plasmas. Several numerical aspects, already outlined in a previous report [Informes Tecnicos Ciemat 1165, mayo 2009], will be treated now in more detail. Aside from discussing the method in the context of other existing codes, various aspects will be now explained from the viewpoint of numerical methods: the way to solve convection equations, the adopted boundary conditions, the real-space meshing procedures along with a new software developed to build them, and some additional questions related with the parallelization and the numerical integration. (Author) 16 refs

  9. Virtuous organization: A structural equation modeling approach

    Directory of Open Access Journals (Sweden)

    Majid Zamahani

    2013-02-01

    Full Text Available For years, the idea of virtue was unfavorable among researchers and virtues were traditionally considered as culture-specific, relativistic and they were supposed to be associated with social conservatism, religious or moral dogmatism, and scientific irrelevance. Virtue and virtuousness have been recently considered seriously among organizational researchers. The proposed study of this paper examines the relationships between leadership, organizational culture, human resource, structure and processes, care for community and virtuous organization. Structural equation modeling is employed to investigate the effects of each variable on other components. The data used in this study consists of questionnaire responses from employees in Payam e Noor University in Yazd province. A total of 250 questionnaires were sent out and a total of 211 valid responses were received. Our results have revealed that all the five variables have positive and significant impacts on virtuous organization. Among the five variables, organizational culture has the most direct impact (0.80 and human resource has the most total impact (0.844 on virtuous organization.

  10. A numerical scheme for a kinetic model for mixtures in the diffusive limit using the moment method

    OpenAIRE

    Bondesan , Andrea; Boudin , Laurent; Grec , Bérénice

    2018-01-01

    In this article, we consider a multi-species kinetic model which leads to the Maxwell-Stefan equations under a standard diffusive scaling (small Knudsen and Mach numbers). We propose a suitable numerical scheme which approximates both the solution of the kinetic model in rarefied regime and the one in the diffusion limit. We prove some a priori estimates (mass conservation and nonnegativity) and well-posedness of the discrete problem. We also present numerical examples where we observe the as...

  11. Bayesian inference of chemical kinetic models from proposed reactions

    KAUST Repository

    Galagali, Nikhil; Marzouk, Youssef M.

    2015-01-01

    © 2014 Elsevier Ltd. Bayesian inference provides a natural framework for combining experimental data with prior knowledge to develop chemical kinetic models and quantify the associated uncertainties, not only in parameter values but also in model

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-09-15

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

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

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

    International Nuclear Information System (INIS)

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

    1985-01-01

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

  15. Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

    Science.gov (United States)

    Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

    2018-06-13

    An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

  16. A kinetic model for the penicillin biosynthetic pathway in

    DEFF Research Database (Denmark)

    Nielsen, Jens; Jørgensen, Henrik

    1996-01-01

    A kinetic model for the first two steps in the penicillin biosynthetic pathway, i.e. the ACV synthetase (ACVS) and the isopenicillin N synthetase (IPNS) is proposed. The model is based on Michaelis-Menten type kinetics with non-competitive inhibition of the ACVS by ACV, and competitive inhibition...... of the IPNS by glutathione. The model predicted flux through the pathway corresponds well with the measured rate of penicillin biosynthesis. From the kinetic model the elasticity coefficients and the flux control coefficients are calculated throughout a fed-batch cultivation, and it is found...

  17. Different seeds to solve the equations of stochastic point kinetics using the Euler-Maruyama method; Diferentes semillas para solucionar las ecuaciones de la cinetica puntual estocastica empleando el metodo de Euler-Maruyama

    Energy Technology Data Exchange (ETDEWEB)

    Suescun D, D.; Oviedo T, M., E-mail: daniel.suescun@usco.edu.co [Universidad Surcolombiana, Av. Pastrana Borrero - Carrera 1, Neiva, Huila (Colombia)

    2017-09-15

    In this paper, a numerical study of stochastic differential equations that describe the kinetics in a nuclear reactor is presented. These equations, known as the stochastic equations of punctual kinetics they model temporal variations in neutron population density and concentrations of deferred neutron precursors. Because these equations are probabilistic in nature (since random oscillations in the neutrons and population of precursors were considered to be approximately normally distributed, and these equations also possess strong coupling and stiffness properties) the proposed method for the numerical simulations is the Euler-Maruyama scheme that provides very good approximations for calculating the neutron population and concentrations of deferred neutron precursors. The method proposed for this work was computationally tested for different seeds, initial conditions, experimental data and forms of reactivity for a group of precursors and then for six groups of deferred neutron precursors at each time step with 5000 Brownian movements per seed. In a paper reported in the literature, the Euler-Maruyama method was proposed, but there are many doubts about the reported values, in addition to not reporting the seed used, so in this work is expected to rectify the reported values. After taking the average of the different seeds used to generate the pseudo-random numbers the results provided by the Euler-Maruyama scheme will be compared in mean and standard deviation with other methods reported in the literature and results of the deterministic model of the equations of the punctual kinetics. This comparison confirms in particular that the Euler-Maruyama scheme is an efficient method to solve the equations of stochastic point kinetics but different from the values found and reported by another author. The Euler-Maruyama method is simple and easy to implement, provides acceptable results for neutron population density and concentration of deferred neutron precursors and

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

    Science.gov (United States)

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

    2007-02-15

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

  19. Control functions in nonseparable simultaneous equations models

    OpenAIRE

    Blundell, R.; Matzkin, R. L.

    2014-01-01

    The control function approach (Heckman and Robb (1985)) in a system of linear simultaneous equations provides a convenient procedure to estimate one of the functions in the system using reduced form residuals from the other functions as additional regressors. The conditions on the structural system under which this procedure can be used in nonlinear and nonparametric simultaneous equations has thus far been unknown. In this paper, we define a new property of functions called control function ...

  20. Introduction to computation and modeling for differential equations

    CERN Document Server

    Edsberg, Lennart

    2008-01-01

    An introduction to scientific computing for differential equationsIntroduction to Computation and Modeling for Differential Equations provides a unified and integrated view of numerical analysis, mathematical modeling in applications, and programming to solve differential equations, which is essential in problem-solving across many disciplines, such as engineering, physics, and economics. This book successfully introduces readers to the subject through a unique ""Five-M"" approach: Modeling, Mathematics, Methods, MATLAB, and Multiphysics. This approach facilitates a thorough understanding of h

  1. Kinetic models in spin chemistry. 1. The hyperfine interaction

    DEFF Research Database (Denmark)

    Mojaza, M.; Pedersen, J. B.

    2012-01-01

    Kinetic models for quantum systems are quite popular due to their simplicity, although they are difficult to justify. We show that the transformation from quantum to kinetic description can be done exactly for the hyperfine interaction of one nuclei with arbitrary spin; more spins are described w...... induced enhancement of the reaction yield. (C) 2012 Elsevier B.V. All rights reserved....

  2. A Global Modeling Framework for Plasma Kinetics: Development and Applications

    Science.gov (United States)

    Parsey, Guy Morland

    The modern study of plasmas, and applications thereof, has developed synchronously with com- puter capabilities since the mid-1950s. Complexities inherent to these charged-particle, many- body, systems have resulted in the development of multiple simulation methods (particle-in-cell, fluid, global modeling, etc.) in order to both explain observed phenomena and predict outcomes of plasma applications. Recognizing that different algorithms are chosen to best address specific topics of interest, this thesis centers around the development of an open-source global model frame- work for the focused study of non-equilibrium plasma kinetics. After verification and validation of the framework, it was used to study two physical phenomena: plasma-assisted combustion and the recently proposed optically-pumped rare gas metastable laser. Global models permeate chemistry and plasma science, relying on spatial averaging to focus attention on the dynamics of reaction networks. Defined by a set of species continuity and energy conservation equations, the required data and constructed systems are conceptually similar across most applications, providing a light platform for exploratory and result-search parameter scan- ning. Unfortunately, it is common practice for custom code to be developed for each application-- an enormous duplication of effort which negatively affects the quality of the software produced. Presented herein, the Python-based Kinetic Global Modeling framework (KGMf) was designed to support all modeling phases: collection and analysis of reaction data, construction of an exportable system of model ODEs, and a platform for interactive evaluation and post-processing analysis. A symbolic ODE system is constructed for interactive manipulation and generation of a Jacobian, both of which are compiled as operation-optimized C-code. Plasma-assisted combustion and ignition (PAC/PAI) embody the modernization of burning fuel by opening up new avenues of control and optimization

  3. Revised predictive equations for salt intrusion modelling in estuaries

    NARCIS (Netherlands)

    Gisen, J.I.A.; Savenije, H.H.G.; Nijzink, R.C.

    2015-01-01

    For one-dimensional salt intrusion models to be predictive, we need predictive equations to link model parameters to observable hydraulic and geometric variables. The one-dimensional model of Savenije (1993b) made use of predictive equations for the Van der Burgh coefficient $K$ and the dispersion

  4. Modelling and nonlinear shock waves for binary gas mixtures by the discrete Boltzmann equation with multiple collisions

    International Nuclear Information System (INIS)

    Bianchi, M.P.

    1991-01-01

    The discrete Boltzmann equation is a mathematical model in the kinetic theory of gases which defines the time and space evolution of a system of gas particles with a finite number of selected velocities. Discrete kinetic theory is an interesting field of research in mathematical physics and applied mathematics for several reasons. One of the relevant fields of application of the discrete Boltzmann equation is the analysis of nonlinear shock wave phenomena. Here, a new multiple collision regular plane model for binary gas mixtures is proposed within the discrete theory of gases and applied to the analysis of the classical problems of shock wave propagation

  5. Exact solutions for some discrete models of the Boltzmann equation

    International Nuclear Information System (INIS)

    Cabannes, H.; Hong Tiem, D.

    1987-01-01

    For the simplest of the discrete models of the Boltzmann equation: the Broadwell model, exact solutions have been obtained by Cornille in the form of bisolitons. In the present Note, we build exact solutions for more complex models [fr

  6. One-dimensional reactor kinetics model for RETRAN

    International Nuclear Information System (INIS)

    Gose, G.C.; Peterson, C.E.; Ellis, N.L.; McClure, J.A.

    1981-01-01

    This paper describes a one-dimensional spatial neutron kinetics model that was developed for the RETRAN code. The RETRAN -01 code has a point kinetics model to describe the reactor core behavior during thermal-hydraulic transients. A one-dimensional neutronics model has been developed for RETRAN-02. The ability to account for flux shape changes will permit an improved representation of the thermal and hydraulic feedback effects for many operational transients. 19 refs

  7. Customized Steady-State Constraints for Parameter Estimation in Non-Linear Ordinary Differential Equation Models.

    Science.gov (United States)

    Rosenblatt, Marcus; Timmer, Jens; Kaschek, Daniel

    2016-01-01

    Ordinary differential equation models have become a wide-spread approach to analyze dynamical systems and understand underlying mechanisms. Model parameters are often unknown and have to be estimated from experimental data, e.g., by maximum-likelihood estimation. In particular, models of biological systems contain a large number of parameters. To reduce the dimensionality of the parameter space, steady-state information is incorporated in the parameter estimation process. For non-linear models, analytical steady-state calculation typically leads to higher-order polynomial equations for which no closed-form solutions can be obtained. This can be circumvented by solving the steady-state equations for kinetic parameters, which results in a linear equation system with comparatively simple solutions. At the same time multiplicity of steady-state solutions is avoided, which otherwise is problematic for optimization. When solved for kinetic parameters, however, steady-state constraints tend to become negative for particular model specifications, thus, generating new types of optimization problems. Here, we present an algorithm based on graph theory that derives non-negative, analytical steady-state expressions by stepwise removal of cyclic dependencies between dynamical variables. The algorithm avoids multiple steady-state solutions by construction. We show that our method is applicable to most common classes of biochemical reaction networks containing inhibition terms, mass-action and Hill-type kinetic equations. Comparing the performance of parameter estimation for different analytical and numerical methods of incorporating steady-state information, we show that our approach is especially well-tailored to guarantee a high success rate of optimization.

  8. Lumping procedure for a kinetic model of catalytic naphtha reforming

    Directory of Open Access Journals (Sweden)

    H. M. Arani

    2009-12-01

    Full Text Available A lumping procedure is developed for obtaining kinetic and thermodynamic parameters of catalytic naphtha reforming. All kinetic and deactivation parameters are estimated from industrial data and thermodynamic parameters are calculated from derived mathematical expressions. The proposed model contains 17 lumps that include the C6 to C8+ hydrocarbon range and 15 reaction pathways. Hougen-Watson Langmuir-Hinshelwood type reaction rate expressions are used for kinetic simulation of catalytic reactions. The kinetic parameters are benchmarked with several sets of plant data and estimated by the SQP optimization method. After calculation of deactivation and kinetic parameters, plant data are compared with model predictions and only minor deviations between experimental and calculated data are generally observed.

  9. Classical kinetic equations for orientational effects with account for the two-particle correlation function of a crystal

    International Nuclear Information System (INIS)

    Ol'khovskij, I.I.; Sadykov, N.M.

    1980-01-01

    The paper deals with the development of classical-statistical approach to the orientational effect theory with account of the influence of the two-particle correlation function of a crystal on diffusion processes. Peculiarities of fast particle movement in the crystal moving at small angles to crystallographic axes and planes are caused by a great number of correlated collisions of the beam particle with the crystal atoms during which the particle slightly deviates in each collision from the direction of its movement before the collision. Obtained is the kinetic equation for the distribution function over coordinates and velocities describing the movement of these particles in the crystal. Lacking the particle deceleration the equation describing movement of the beam particles in the averaged potential and their diffusion by velocities is also obtained. The main peculiarity of these equations is the fact that they take into account strong spatial non-uniformity in the crystal atom distribution [ru

  10. MAKSIMA-CHEMIST: a program for Mass Action Kinetics Simulation by Automatic Chemical Equation Manipulation and Integration using Stiff Techniques

    International Nuclear Information System (INIS)

    Carver, M.B.; Hanley, D.V.; Chaplin, K.R.

    1979-02-01

    MAKSIMA-CHEMIST was written to compute the kinetics of simultaneous chemical reactions. The ordinary differential equations, which are automatically derived from the stated chemical equations, are difficult to integrate, as they are coupled in a highly nonlinear manner and frequently involve a large range in the magnitude of the reaction rates. They form a classic 'stiff' differential equaton set which can be integrated efficiently only by recently developed advanced techniques. The new program also contains provision for higher order chemical reactions, and has a dynamic storage and decision feature. This permits it to accept any number of chemical reactions and species, and choose an integraton scheme which will perform most efficiently within the available memory. Sparse matrix techniques are used when the size and structure of the equation set is suitable. Finally, a number of post-analysis options are available, including printer and Calcomp plots of transient response of selected species, and graphical representation of the reaction matrix. (auth)

  11. Superfluid kinetic equation approach to the dynamics of the 3He A-B phase boundary

    International Nuclear Information System (INIS)

    Palmeri, J.

    1990-01-01

    The dynamics of the A-B phase boundary is studied using a nonequilibrium theory inspired by the microscopic approach to flux flow in type-II superconductors, namely a generalized two-fluid model consisting of coupled dynamical equations for the superfluid order parameter and the quasiparticle fluid. The interface mobility is obtained to lowest order in the front velocity in three different dynamical regimes: the gapless, hydrodynamic, and ballistic. Experiments have so far only been performed in the ballistic regime, and in this regime we find that, if only Andreev scattering processes are accounted for in the interface mobility, then the theoretical predictions for the terminal velocity of the planar interface are too big by a factor ∼2. From this we conclude that there may be other important contributions to the interface mobility in the ballistic regime, and we discuss a few possibilities

  12. COMPARATIVE ANALYSIS OF SOME EXISTING KINETIC MODELS ...

    African Journals Online (AJOL)

    The biosorption of three heavy metal ions namely; Zn2+, Cu2+ and Mn2+ using five microorganisms namely; Bacillus circulans, Pseudomonas aeruginosa, Staphylococcus xylosus, Streptomyces rimosus and Yeast (Saccharomyces sp.) were studied. In this paper, the effectiveness of six existing and two proposed kinetic ...

  13. A Kinetic Model for the Sedimentation of Rod--Like Particles

    KAUST Repository

    Helzel, Christiane; Tzavaras, Athanasios

    2015-01-01

    We consider a coupled system consisting of a kinetic equation coupled to a macroscopic Stokes (or Navier-Stokes) equation and describing the motion of a suspension of rigid rods in gravity. A reciprocal coupling leads to the formation of clusters: The buoyancy force creates a macroscopic velocity gradient that causes the microscopic particles to align so that their sedimentation reinforces the formation of clusters of higher particle density. We provide a quantitative analysis of cluster formation. We derive a nonlinear moment closure model, which consists of evolution equations for the density and second order moments and that uses the structure of spherical harmonics to suggest a closure strategy. For a rectilinear flow we employ the moment closure together with a quasi-dynamic approximation to derive an effective equation. The effective equation is an advectiondiffusion equation with nonisotropic diffusion coupled to a Poisson equation, and belongs to the class of the so-called flux-limited Keller-Segel models. For shear flows, we provide an argument for the validity of the effective equation and perform numerical comparisons that indicate good agreement between the original system and the effective theory. For rectilinear flow we show numerical results which indicate that the quasi-dynamic provides accurate approximations. Finally, a linear stability analysis on the moment system shows that linear theory predicts a wavelength selection mechanism for the cluster width, provided that the Reynolds number is larger than zero.

  14. A Kinetic Model for the Sedimentation of Rod--Like Particles

    KAUST Repository

    Helzel, Christiane

    2015-10-12

    We consider a coupled system consisting of a kinetic equation coupled to a macroscopic Stokes (or Navier-Stokes) equation and describing the motion of a suspension of rigid rods in gravity. A reciprocal coupling leads to the formation of clusters: The buoyancy force creates a macroscopic velocity gradient that causes the microscopic particles to align so that their sedimentation reinforces the formation of clusters of higher particle density. We provide a quantitative analysis of cluster formation. We derive a nonlinear moment closure model, which consists of evolution equations for the density and second order moments and that uses the structure of spherical harmonics to suggest a closure strategy. For a rectilinear flow we employ the moment closure together with a quasi-dynamic approximation to derive an effective equation. The effective equation is an advectiondiffusion equation with nonisotropic diffusion coupled to a Poisson equation, and belongs to the class of the so-called flux-limited Keller-Segel models. For shear flows, we provide an argument for the validity of the effective equation and perform numerical comparisons that indicate good agreement between the original system and the effective theory. For rectilinear flow we show numerical results which indicate that the quasi-dynamic provides accurate approximations. Finally, a linear stability analysis on the moment system shows that linear theory predicts a wavelength selection mechanism for the cluster width, provided that the Reynolds number is larger than zero.

  15. Role of secondary instability theory and parabolized stability equations in transition modeling

    Science.gov (United States)

    El-Hady, Nabil M.; Dinavahi, Surya P.; Chang, Chau-Lyan; Zang, Thomas A.

    1993-01-01

    In modeling the laminar-turbulent transition region, the designer depends largely on benchmark data from experiments and/or direct numerical simulations that are usually extremely expensive. An understanding of the evolution of the Reynolds stresses, turbulent kinetic energy, and quantifies in the transport equations like the dissipation and production is essential in the modeling process. The secondary instability theory and the parabolized stability equations method are used to calculate these quantities, which are then compared with corresponding quantities calculated from available direct numerical simulation data for the incompressible boundary-layer flow of laminar-turbulent transition conditions. The potential of the secondary instability theory and the parabolized stability equations approach in predicting these quantities is discussed; results indicate that inexpensive data that are useful for transition modeling in the early stages of the transition region can be provided by these tools.

  16. Comparisons of Multilevel Modeling and Structural Equation Modeling Approaches to Actor-Partner Interdependence Model.

    Science.gov (United States)

    Hong, Sehee; Kim, Soyoung

    2018-01-01

    There are basically two modeling approaches applicable to analyzing an actor-partner interdependence model: the multilevel modeling (hierarchical linear model) and the structural equation modeling. This article explains how to use these two models in analyzing an actor-partner interdependence model and how these two approaches work differently. As an empirical example, marital conflict data were used to analyze an actor-partner interdependence model. The multilevel modeling and the structural equation modeling produced virtually identical estimates for a basic model. However, the structural equation modeling approach allowed more realistic assumptions on measurement errors and factor loadings, rendering better model fit indices.

  17. Group-kinetic theory and modeling of atmospheric turbulence

    Science.gov (United States)

    Tchen, C. M.

    1989-01-01

    A group kinetic method is developed for analyzing eddy transport properties and relaxation to equilibrium. The purpose is to derive the spectral structure of turbulence in incompressible and compressible media. Of particular interest are: direct and inverse cascade, boundary layer turbulence, Rossby wave turbulence, two phase turbulence; compressible turbulence, and soliton turbulence. Soliton turbulence can be found in large scale turbulence, turbulence connected with surface gravity waves and nonlinear propagation of acoustical and optical waves. By letting the pressure gradient represent the elementary interaction among fluid elements and by raising the Navier-Stokes equation to higher dimensionality, the master equation was obtained for the description of the microdynamical state of turbulence.

  18. Hierarchical regression analysis in structural Equation Modeling

    NARCIS (Netherlands)

    de Jong, P.F.

    1999-01-01

    In a hierarchical or fixed-order regression analysis, the independent variables are entered into the regression equation in a prespecified order. Such an analysis is often performed when the extra amount of variance accounted for in a dependent variable by a specific independent variable is the main

  19. comparative analysis of some existing kinetic models with proposed

    African Journals Online (AJOL)

    IGNATIUS NWIDI

    two statistical parameters namely; linear regression coefficient of correlation (R2) and ... Keynotes: Heavy metals, Biosorption, Kinetics Models, Comparative analysis, Average Relative Error. 1. ... If the flow rate is low, a simple manual batch.

  20. Improved Kinetic Models for High-Speed Combustion Simulation

    National Research Council Canada - National Science Library

    Montgomery, C. J; Tang, Q; Sarofim, A. F; Bockelie, M. J; Gritton, J. K; Bozzelli, J. W; Gouldin, F. C; Fisher, E. M; Chakravarthy, S

    2008-01-01

    Report developed under an STTR contract. The overall goal of this STTR project has been to improve the realism of chemical kinetics in computational fluid dynamics modeling of hydrocarbon-fueled scramjet combustors...

  1. Physical characterization and kinetic modelling of matrix tablets of ...

    African Journals Online (AJOL)

    release mechanisms were characterized by kinetic modeling. Analytical ... findings demonstrate that both the desired physical characteristics and drug release profiles were obtained ..... on the compression, mechanical, and release properties.

  2. Study of growth kinetic and modeling of ethanol production by ...

    African Journals Online (AJOL)

    ... coefficient (0.96299). Based on Leudking-Piret model, it could be concluded that ethanol batch fermentation is a non-growth associated process. Key words: Kinetic parameters, simulation, cell growth, ethanol, Saccharomyces cerevisiae.

  3. Kinetic modelling of runaway electron avalanches in tokamak plasmas

    International Nuclear Information System (INIS)

    Nilsson, E; Peysson, Y; Saint-Laurent, F; Decker, J; Granetz, R S; Vlainic, M

    2015-01-01

    Runaway electrons can be generated in tokamak plasmas if the accelerating force from the toroidal electric field exceeds the collisional drag force owing to Coulomb collisions with the background plasma. In ITER, disruptions are expected to generate runaway electrons mainly through knock-on collisions (Hender et al 2007 Nucl. Fusion 47 S128–202), where enough momentum can be transferred from existing runaways to slow electrons to transport the latter beyond a critical momentum, setting off an avalanche of runaway electrons. Since knock-on runaways are usually scattered off with a significant perpendicular component of the momentum with respect to the local magnetic field direction, these particles are highly magnetized. Consequently, the momentum dynamics require a full 3D kinetic description, since these electrons are highly sensitive to the magnetic non-uniformity of a toroidal configuration. For this purpose, a bounce-averaged knock-on source term is derived. The generation of runaway electrons from the combined effect of Dreicer mechanism and knock-on collision process is studied with the code LUKE, a solver of the 3D linearized bounce-averaged relativistic electron Fokker–Planck equation (Decker and Peysson 2004 DKE: a fast numerical solver for the 3D drift kinetic equation Report EUR-CEA-FC-1736, Euratom-CEA), through the calculation of the response of the electron distribution function to a constant parallel electric field. The model, which has been successfully benchmarked against the standard Dreicer runaway theory now describes the runaway generation by knock-on collisions as proposed by Rosenbluth (Rosenbluth and Putvinski 1997 Nucl. Fusion 37 1355–62). This paper shows that the avalanche effect can be important even in non-disruptive scenarios. Runaway formation through knock-on collisions is found to be strongly reduced when taking place off the magnetic axis, since trapped electrons can not contribute to the runaway electron population. Finally

  4. Transport Properties of a Kinetic Model for Chemical Reactions without Barriers

    International Nuclear Information System (INIS)

    Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta

    2011-01-01

    A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.

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

    Science.gov (United States)

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

    2012-04-01

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

  6. Consistent three-equation model for thin films

    Science.gov (United States)

    Richard, Gael; Gisclon, Marguerite; Ruyer-Quil, Christian; Vila, Jean-Paul

    2017-11-01

    Numerical simulations of thin films of newtonian fluids down an inclined plane use reduced models for computational cost reasons. These models are usually derived by averaging over the fluid depth the physical equations of fluid mechanics with an asymptotic method in the long-wave limit. Two-equation models are based on the mass conservation equation and either on the momentum balance equation or on the work-energy theorem. We show that there is no two-equation model that is both consistent and theoretically coherent and that a third variable and a three-equation model are required to solve all theoretical contradictions. The linear and nonlinear properties of two and three-equation models are tested on various practical problems. We present a new consistent three-equation model with a simple mathematical structure which allows an easy and reliable numerical resolution. The numerical calculations agree fairly well with experimental measurements or with direct numerical resolutions for neutral stability curves, speed of kinematic waves and of solitary waves and depth profiles of wavy films. The model can also predict the flow reversal at the first capillary trough ahead of the main wave hump.

  7. Study of a Model Equation in Detonation Theory

    KAUST Repository

    Faria, Luiz; Kasimov, Aslan R.; Rosales, Rodolfo R.

    2014-01-01

    Here we analyze properties of an equation that we previously proposed to model the dynamics of unstable detonation waves [A. R. Kasimov, L. M. Faria, and R. R. Rosales, Model for shock wave chaos, Phys. Rev. Lett., 110 (2013), 104104]. The equation

  8. A Structural Equation Modeling Analysis of Influences on Juvenile Delinquency

    Science.gov (United States)

    Barrett, David E.; Katsiyannis, Antonis; Zhang, Dalun; Zhang, Dake

    2014-01-01

    This study examined influences on delinquency and recidivism using structural equation modeling. The sample comprised 199,204 individuals: 99,602 youth whose cases had been processed by the South Carolina Department of Juvenile Justice and a matched control group of 99,602 youth without juvenile records. Structural equation modeling for the…

  9. Nodal kinetics model upgrade in the Penn State coupled TRAC/NEM codes

    International Nuclear Information System (INIS)

    Beam, Tara M.; Ivanov, Kostadin N.; Baratta, Anthony J.; Finnemann, Herbert

    1999-01-01

    The Pennsylvania State University currently maintains and does development and verification work for its own versions of the coupled three-dimensional kinetics/thermal-hydraulics codes TRAC-PF1/NEM and TRAC-BF1/NEM. The subject of this paper is nodal model enhancements in the above mentioned codes. Because of the numerous validation studies that have been performed on almost every aspect of these codes, this upgrade is done without a major code rewrite. The upgrade consists of four steps. The first two steps are designed to improve the accuracy of the kinetics model, based on the nodal expansion method. The polynomial expansion solution of 1D transverse integrated diffusion equation is replaced with a solution, which uses a semi-analytic expansion. Further the standard parabolic polynomial representation of the transverse leakage in the above 1D equations is replaced with an improved approximation. The last two steps of the upgrade address the code efficiency by improving the solution of the time-dependent NEM equations and implementing a multi-grid solver. These four improvements are implemented into the standalone NEM kinetics code. Verification of this code was accomplished based on the original verification studies. The results show that the new methods improve the accuracy and efficiency of the code. The verification of the upgraded NEM model in the TRAC-PF1/NEM and TRAC-BF1/NEM coupled codes is underway

  10. Molecular Dynamics Simulations of Kinetic Models for Chiral Dominance in Soft Condensed Matter

    DEFF Research Database (Denmark)

    Toxvaerd, Søren

    2001-01-01

    Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality......Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality...

  11. Numerical Calculation of Transport Based on the Drift-Kinetic Equation for Plasmas in General Toroidal Magnetic Geometry: Convergence and Testing

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    This report is the third of a series [Informes Tecnicos Ciemat 1165 y 1172] devoted to the development of a new numerical code to solve the guiding center equation for electrons and ions in toroidal plasmas. Two calculation meshes corresponding to axisymmetric tokamaks are now prepared and the kinetic equation is expanded so the standard terms of neoclassical theory --fi rst order terms in the Larmor radius expansion-- can be identified, restricting the calculations correspondingly. Using model density and temperature profiles for the plasma, several convergence test are performed depending on the calculation meshes and the expansions of the distribution function; then the results are compared with the theory [Hinton and Hazeltine, Rev. Mod. Phys. (1976)]. (Author) 18 refs

  12. The validity of the kinetic collection equation revisited – Part 3: Sol–gel transition under turbulent conditions

    Directory of Open Access Journals (Sweden)

    D. Baumgardner

    2013-01-01

    Full Text Available Warm rain in real clouds is produced by the collision and coalescence of an initial population of small droplets. The production of rain in warm cumulus clouds is still one of the open problems in cloud physics, and although several mechanisms have been proposed in the past, at present there is no complete explanation for the rapid growth of cloud droplets within the size range of diameters from 10 to 50 μm. By using a collection kernel enhanced by turbulence and a fully stochastic simulation method, the formation of a runaway droplet is modeled through the turbulent collection process. When the runaway droplet forms, the traditional calculation using the kinetic collection equation is no longer valid, since the assumption of a continuous distribution breaks down. There is in essence a phase transition in the system from a continuous distribution to a continuous distribution plus a runaway droplet. This transition can be associated to gelation (also called sol–gel transition and is proposed here as a mechanism for the formation of large droplets required to trigger warm rain development in cumulus clouds. The fully stochastic turbulent model reveals gelation and the formation of a droplet with mass comparable to the mass of the initial system. The time when the sol–gel transition occurs is estimated with a Monte Carlo method when the parameter ρ (the ratio of the standard deviation for the largest droplet mass over all the realizations to the averaged value reaches its maximum value. Moreover, we show that the non-turbulent case does not exhibit the sol–gel transition that can account for the impossibility of producing raindrop embryos in such a system. In the context of cloud physics theory, gelation can be interpreted as the formation of the "lucky droplet" that grows at a much faster rate than the rest of the population and becomes the embryo for runaway raindrops.

  13. Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - phenomenological modeling

    Energy Technology Data Exchange (ETDEWEB)

    Lai Wei, E-mail: laiwei@msu.ed [Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, MI 48824 (United States); Ciucci, Francesco [Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences, University of Heidelberg, INF 368 D - 69120 Heidelberg (Germany)

    2010-12-15

    Thermodynamics and kinetics of phase transformation in intercalation battery electrodes are investigated by phenomenological models which include a mean-field lattice-gas thermodynamic model and a generalized Poisson-Nernst-Planck equation set based on linear irreversible thermodynamics. The application of modeling to a porous intercalation electrode leads to a hierarchical equivalent circuit with elements of explicit physical meanings. The equivalent circuit corresponding to the intercalation particle of planar, cylindrical and spherical symmetry is reduced to a diffusion equation with concentration dependent diffusivity. The numerical analysis of the diffusion equation suggests the front propagation behavior during phase transformation. The present treatment is also compared with the conventional moving boundary and phase field approaches.

  14. Kinetic transport model for the ELMO Bumpy Torus

    International Nuclear Information System (INIS)

    Jaeger, E.F.; Hedrick, C.L.; Tolliver, J.S.

    1978-05-01

    A bounce-averaged drift kinetic equation is solved for the toroidal plasma in the ELMO Bumpy Torus (EBT). The distribution function is assumed isotropic in pitch angle and calculated as a function of radius and speed using finite differences on a two-dimensional grid. A Fokker-Planck representation of the collision operator includes Coulomb, microwave, ionizing, and charge-exchange collisions. Ion and electron fluxes, computed as integrals of the distribution function, are of comparable magnitude for ambipolar potentials which are approximately self-consistent. Initial results assume an unperturbed distribution function which is Maxwellian; however, this is not a necessary assumption in the model. Careful accounting of loss regions where electric and magnetic poloidal drifts cancel (super banana particle orbits) leads to ion loss rates which are in some cases two orders of magnitude greater than electron rates. In these cases, radially inward pointing self-consistent electric fields occur with potentials on the order of a few times the ion temperature. These negative field results are in approximate agreement with experiment and appear to be stable to the electric field runaway encountered in positive field cases

  15. Kinetic model of the bichromatic dark trap for atoms

    Science.gov (United States)

    Krasnov, I. V.

    2017-08-01

    A kinetic model of atom confinement in a bichromatic dark trap (BDT) is developed with the goal of describing its dissipative properties. The operating principle of the deep BDT is based on using the combination of multiple bichromatic cosine-Gaussian optical beams (CGBs) for creating high-potential barriers, which is described in our previous work (Krasnov 2016 Laser Phys. 26 105501). In the indicated work, particle motion in the BDT is described in terms of classical trajectories. In the present study, particle motion is analyzed by means of the Wigner function (phase-space distribution function (DF)), which allows one to properly take into account the quantum fluctuations of optical forces. Besides, we consider an improved scheme of the BDT, where CGBs create, apart from plane potential barriers, a narrow cooling layer. We find an asymptotic solution of the Fokker-Planck equation for the DF and show that the DF of particles deeply trapped in a BDT with a cooling layer is the Tsallis distribution with the effective temperature, which can be considerably lower than in a BDT without a cooling layer. Moreover, it can be adjusted by slightly changing the CGBs’ radii. We also study the effect of particle escape from the trap due to the scattering of resonant photons and show that the particle lifetime in a BDT can exceed several tens of hours when it is limited by photon scattering.

  16. Kinetic modeling of formic acid pulping of bagasse.

    Science.gov (United States)

    Tu, Qiliang; Fu, Shiyu; Zhan, Huaiyu; Chai, Xinsheng; Lucia, Lucian A

    2008-05-14

    Organic solvent or organosolv pulping processes are alternatives to soda or kraft pulping to delignify lignocellulosic materials for the production of paper pulp. Formic acid, a typical organosolv system, has been presently examined under atmospheric pressure to pulp bagasse fibers. It was shown that efficient bagasse pulping was achieved when the formic acid concentration was limited to 90% (v/v). A statistical kinetic model based on the experimental results for the delignification of bagasse during formic acid pulping was developed that can be described as follows: D (delignification) = 0.747 x C(formicacid) (1.688) x (1 - e(-0.05171t)), an equation that can be used to predict the lignin content in formic acid during the pulping process. The delignification of bagasse by 90% formic acid was almost completed after approximately 80 min, while extended pulping did not improve the delignification but tended to degrade the carbohydrates in bagasse, especially the hemicelluloses, which were rapidly hydrolyzed at the onset of pulping.

  17. Bogomolny equations in certain generalized baby BPS Skyrme models

    Science.gov (United States)

    Stępień, Ł. T.

    2018-01-01

    By using the concept of strong necessary conditions (CSNCs), we derive Bogomolny equations and Bogomol’nyi-Prasad-Sommerfield (BPS) bounds for two certain modifications of the baby BPS Skyrme model: the nonminimal coupling to the gauge field and the k-deformed ungauged model. In particular, we study how the Bogomolny equations and the equation for the potential reflect these two modifications. In both examples, the CSNC method appears to be a very useful tool. We also find certain localized solutions of these Bogomolny equations.

  18. A practical course in differential equations and mathematical modeling

    CERN Document Server

    Ibragimov , Nail H

    2009-01-01

    A Practical Course in Differential Equations and Mathematical Modelling is a unique blend of the traditional methods of ordinary and partial differential equations with Lie group analysis enriched by the author's own theoretical developments. The book which aims to present new mathematical curricula based on symmetry and invariance principles is tailored to develop analytic skills and working knowledge in both classical and Lie's methods for solving linear and nonlinear equations. This approach helps to make courses in differential equations, mathematical modelling, distributions and fundame

  19. Modeling High Frequency Semiconductor Devices Using Maxwell's Equations

    National Research Council Canada - National Science Library

    El-Ghazaly, Samier

    1999-01-01

    .... In this research, we first replaced the conventional semiconductor device models, which are based on Poisson's Equation as a semiconductor model, with a new one that uses the full-wave electro...

  20. Numerical Calculation of Transport Based on the Drift Kinetic Equation for plasmas in General Toroidal Magnetic Geometry

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    This report is the first of a series dedicated to the numerical calculation of the evolution of fusion plasmas in general toroidal geometry, including TJ-II plasmas. A kinetic treatment has been chosen: the evolution equation of the distribution function of one or several plasma species is solved in guiding center coordinates. The distribution function is written as a Maxwellian one modulated by polynomial series in the kinetic coordinates with no other approximations than those of the guiding center itself and the computation capabilities. The code allows also for the inclusion of the three-dimensional electrostatic potential in a self-consistent manner, but the initial objective has been set to solving only the neoclassical transport. A high order conservative method (Spectral Difference Method) has been chosen in order to discretized the equation for its numerical solution. In this first report, in addition to justifying the work, the evolution equation and its approximations are described, as well as the baseline of the numerical procedures. (Author) 28 refs

  1. Macroscopic balance equations for two-phase flow models

    International Nuclear Information System (INIS)

    Hughes, E.D.

    1979-01-01

    The macroscopic, or overall, balance equations of mass, momentum, and energy are derived for a two-fluid model of two-phase flows in complex geometries. These equations provide a base for investigating methods of incorporating improved analysis methods into computer programs, such as RETRAN, which are used for transient and steady-state thermal-hydraulic analyses of nuclear steam supply systems. The equations are derived in a very general manner so that three-dimensional, compressible flows can be analysed. The equations obtained supplement the various partial differential equation two-fluid models of two-phase flow which have recently appeared in the literature. The primary objective of the investigation is the macroscopic balance equations. (Auth.)

  2. Transport in semiconductor nanowire superlattices described by coupled quantum mechanical and kinetic models.

    Science.gov (United States)

    Alvaro, M; Bonilla, L L; Carretero, M; Melnik, R V N; Prabhakar, S

    2013-08-21

    In this paper we develop a kinetic model for the analysis of semiconductor superlattices, accounting for quantum effects. The model consists of a Boltzmann-Poisson type system of equations with simplified Bhatnagar-Gross-Krook collisions, obtained from the general time-dependent Schrödinger-Poisson model using Wigner functions. This system for superlattice transport is supplemented by the quantum mechanical part of the model based on the Ben-Daniel-Duke form of the Schrödinger equation for a cylindrical superlattice of finite radius. The resulting energy spectrum is used to characterize the Fermi-Dirac distribution that appears in the Bhatnagar-Gross-Krook collision, thereby coupling the quantum mechanical and kinetic parts of the model. The kinetic model uses the dispersion relation obtained by the generalized Kronig-Penney method, and allows us to estimate radii of quantum wire superlattices that have the same miniband widths as in experiments. It also allows us to determine more accurately the time-dependent characteristics of superlattices, in particular their current density. Results, for several experimentally grown superlattices, are discussed in the context of self-sustained coherent oscillations of the current density which are important in an increasing range of current and potential applications.

  3. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    Directory of Open Access Journals (Sweden)

    Krivtcova Nadezhda

    2016-01-01

    Full Text Available Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  4. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    OpenAIRE

    Krivtsova, Nadezhda Igorevna; Tataurshikov, A.; Kotkova, Elena

    2016-01-01

    Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

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

    Directory of Open Access Journals (Sweden)

    Nowak Tomasz Karol

    2014-06-01

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

  6. Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

    KAUST Repository

    Wang, Zhandong; Zhao, Long; Wang, Yu; Bian, Huiting; Zhang, Lidong; Zhang, Feng; Li, Yuyang; Sarathy, Mani; Qi, Fei

    2015-01-01

    species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high

  7. A kinetic model for runaway electrons in the ionosphere

    Directory of Open Access Journals (Sweden)

    G. Garcia

    2006-09-01

    Full Text Available Electrodynamic models and measurements with satellites and incoherent scatter radars predict large field aligned current densities on one side of the auroral arcs. Different authors and different kinds of studies (experimental or modeling agree that the current density can reach up to hundreds of µA/m2. This large current density could be the cause of many phenomena such as tall red rays or triggering of unstable ion acoustic waves. In the present paper, we consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a static electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. We present the essential elements of this collision operator: the Langevin equation for electrons/ions and electrons/electrons collisions and the Monte-Carlo and null collision methods for electrons/neutrals collisions. A computational example is given illustrating the approach to equilibrium and the impact of the different terms (electrons/electrons and electrons/ions collisions on the one hand and electrons/neutrals collisions on the other hand. Then, a parallel electric field is applied in a new sample run. In this run, the electrons move in the z direction parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density, up to 20% of the total current density.

  8. A kinetic model for runaway electrons in the ionosphere

    Directory of Open Access Journals (Sweden)

    G. Garcia

    2006-09-01

    Full Text Available Electrodynamic models and measurements with satellites and incoherent scatter radars predict large field aligned current densities on one side of the auroral arcs. Different authors and different kinds of studies (experimental or modeling agree that the current density can reach up to hundreds of µA/m2. This large current density could be the cause of many phenomena such as tall red rays or triggering of unstable ion acoustic waves. In the present paper, we consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a static electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. We present the essential elements of this collision operator: the Langevin equation for electrons/ions and electrons/electrons collisions and the Monte-Carlo and null collision methods for electrons/neutrals collisions. A computational example is given illustrating the approach to equilibrium and the impact of the different terms (electrons/electrons and electrons/ions collisions on the one hand and electrons/neutrals collisions on the other hand. Then, a parallel electric field is applied in a new sample run. In this run, the electrons move in the z direction parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density, up to 20% of the total current density.

  9. Kinetic models and parameters estimation study of biomass and ...

    African Journals Online (AJOL)

    compaq

    2017-01-11

    Jan 11, 2017 ... Unstructured models were proposed using the logistic equation for growth, the ... analysis of variance (ANOVA) was also used to validate the proposed models. ... production but their choice depends on the cost and the.

  10. Kinetic models of cell growth, substrate utilization and bio ...

    African Journals Online (AJOL)

    STORAGESEVER

    2008-05-02

    May 2, 2008 ... Aspergillus fumigatus. A simple model was proposed using the Logistic Equation for the growth, ... costs and also involved in less sophisticated fermentation ... apply and they are accurately proved that the model can express ...

  11. Galerkin method for unsplit 3-D Dirac equation using atomically/kinetically balanced B-spline basis

    International Nuclear Information System (INIS)

    Fillion-Gourdeau, F.; Lorin, E.; Bandrauk, A.D.

    2016-01-01

    A Galerkin method is developed to solve the time-dependent Dirac equation in prolate spheroidal coordinates for an electron–molecular two-center system. The initial state is evaluated from a variational principle using a kinetic/atomic balanced basis, which allows for an efficient and accurate determination of the Dirac spectrum and eigenfunctions. B-spline basis functions are used to obtain high accuracy. This numerical method is used to compute the energy spectrum of the two-center problem and then the evolution of eigenstate wavefunctions in an external electromagnetic field.

  12. Detailed Chemical Kinetic Modeling of Hydrazine Decomposition

    Science.gov (United States)

    Meagher, Nancy E.; Bates, Kami R.

    2000-01-01

    The purpose of this research project is to develop and validate a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. Hydrazine is used extensively in aerospace propulsion, and although liquid hydrazine is not considered detonable, many fuel handling systems create multiphase mixtures of fuels and fuel vapors during their operation. Therefore, a thorough knowledge of the decomposition chemistry of hydrazine under a variety of conditions can be of value in assessing potential operational hazards in hydrazine fuel systems. To gain such knowledge, a reasonable starting point is the development and validation of a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. A reasonably complete mechanism was published in 1996, however, many of the elementary steps included had outdated rate expressions and a thorough investigation of the behavior of the mechanism under a variety of conditions was not presented. The current work has included substantial revision of the previously published mechanism, along with a more extensive examination of the decomposition behavior of hydrazine. An attempt to validate the mechanism against the limited experimental data available has been made and was moderately successful. Further computational and experimental research into the chemistry of this fuel needs to be completed.

  13. Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

    KAUST Repository

    Wang, Zhandong

    2015-07-01

    Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.

  14. Chemical kinetic modeling of H{sub 2} applications

    Energy Technology Data Exchange (ETDEWEB)

    Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D. [Lawrence Livermore National Lab., CA (United States)] [and others

    1995-09-01

    Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.

  15. RELAP5 kinetics model development for the Advanced Test Reactor

    International Nuclear Information System (INIS)

    Judd, J.L.; Terry, W.K.

    1990-01-01

    A point-kinetics model of the Advanced Test Reactor has been developed for the RELAP5 code. Reactivity feedback parameters were calculated by a three-dimensional analysis with the PDQ neutron diffusion code. Analyses of several hypothetical reactivity insertion events by the new model and two earlier models are discussed. 3 refs., 10 figs., 6 tabs

  16. Homogeneous axisymmetric model with a limitting stiff equation of state

    International Nuclear Information System (INIS)

    Korkina, M.P.; Martynenko, V.G.

    1976-01-01

    A solution is obtained for Einstein's equations in which all metric coefficients are time functions for a limiting stiff equation of the substance state. Thr solution describes a homogeneous cosmological model with cylindrical symmetry. It is shown that the same metrics can be induced by a massless scalar only time-dependent field. Analysis of this solution is presented

  17. Modelling equation of knee force during instep kicking using ...

    African Journals Online (AJOL)

    This paper presents the biomechanics analysis of the football players, to obtain the equation that relates with the variables and to get the force model equation when the kicking was made. The subjects delivered instep kicking by using the dominant's leg where one subjects using right and left leg. 2 Dimensional analysis ...

  18. A Gas-Kinetic Method for Hyperbolic-Elliptic Equations and Its Application in Two-Phase Fluid Flow

    Science.gov (United States)

    Xu, Kun

    1999-01-01

    A gas-kinetic method for the hyperbolic-elliptic equations is presented in this paper. In the mixed type system, the co-existence and the phase transition between liquid and gas are described by the van der Waals-type equation of state (EOS). Due to the unstable mechanism for a fluid in the elliptic region, interface between the liquid and gas can be kept sharp through the condensation and evaporation process to remove the "averaged" numerical fluid away from the elliptic region, and the interface thickness depends on the numerical diffusion and stiffness of the phase change. A few examples are presented in this paper for both phase transition and multifluid interface problems.

  19. The dispersionless Lax equations and topological minimal models

    International Nuclear Information System (INIS)

    Krichever, I.

    1992-01-01

    It is shown that perturbed rings of the primary chiral fields of the topological minimal models coincide with some particular solutions of the dispersionless Lax equations. The exact formulae for the tree level partition functions, of A n topological minimal models are found. The Virasoro constraints for the analogue of the τ-function of the dispersionless Lax equation corresponding to these models are proved. (orig.)

  20. Meta-analysis a structural equation modeling approach

    CERN Document Server

    Cheung, Mike W-L

    2015-01-01

    Presents a novel approach to conducting meta-analysis using structural equation modeling. Structural equation modeling (SEM) and meta-analysis are two powerful statistical methods in the educational, social, behavioral, and medical sciences. They are often treated as two unrelated topics in the literature. This book presents a unified framework on analyzing meta-analytic data within the SEM framework, and illustrates how to conduct meta-analysis using the metaSEM package in the R statistical environment. Meta-Analysis: A Structural Equation Modeling Approach begins by introducing the impo

  1. Observations on the properties of second and general-order kinetics equations describing the thermoluminescence processes

    International Nuclear Information System (INIS)

    Kitis, G.; Furetta, C.; Azorin, J.

    2003-01-01

    Synthetic thermoluminescent (Tl) glow peaks, following a second and general kinetics order have been generated by computer. The general properties of the so generated peaks have been investigated over several order of magnitude of simulated doses. Some non usual results which, at the best knowledge of the authors, are not reported in the literature, are obtained and discussed. (Author)

  2. Euler and Navier endash Stokes limits of the Uehling endash Uhlenbeck quantum kinetic equations

    International Nuclear Information System (INIS)

    Arlotti, L.; Lachowicz, M.

    1997-01-01

    The Uehling endash Uhlenbeck evolution equations for gases of identical quantum particles either fermions or bosons, in the case in which the collision kernel does not depend on the distribution function, are considered. The existence of solutions and their asymptotic relations with solutions of the hydrodynamic equations both at the level of the Euler system and at the level of the Navier endash Stokes system are proved. copyright 1997 American Institute of Physics

  3. Numerical prediction of kinetic model for enzymatic hydrolysis of cellulose using DAE-QMOM approach

    Science.gov (United States)

    Jamil, N. M.; Wang, Q.

    2016-06-01

    Bioethanol production from lignocellulosic biomass consists of three fundamental processes; pre-treatment, enzymatic hydrolysis, and fermentation. In enzymatic hydrolysis phase, the enzymes break the cellulose chains into sugar in the form of cellobiose or glucose. A currently proposed kinetic model for enzymatic hydrolysis of cellulose that uses population balance equation (PBE) mechanism was studied. The complexity of the model due to integrodifferential equations makes it difficult to find the analytical solution. Therefore, we solved the full model of PBE numerically by using DAE-QMOM approach. The computation was carried out using MATLAB software. The numerical results were compared to the asymptotic solution developed in the author's previous paper and the results of Griggs et al. Besides confirming the findings were consistent with those references, some significant characteristics were also captured. The PBE model for enzymatic hydrolysis process can be solved using DAE-QMOM method. Also, an improved understanding of the physical insights of the model was achieved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-07-01

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

  5. Analytical solution of the multigroup neutron diffusion kinetic equation in one-dimensional cartesian geometry by the integral transform technique

    International Nuclear Information System (INIS)

    Ceolin, Celina

    2010-01-01

    The objective of this work is to obtain an analytical solution of the neutron diffusion kinetic equation in one-dimensional cartesian geometry, to monoenergetic and multigroup problems. These equations are of the type stiff, due to large differences in the orders of magnitude of the time scales of the physical phenomena involved, which make them difficult to solve. The basic idea of the proposed method is applying the spectral expansion in the scalar flux and in the precursor concentration, taking moments and solving the resulting matrix problem by the Laplace transform technique. Bearing in mind that the equation for the precursor concentration is a first order linear differential equation in the time variable, to enable the application of the spectral method we introduce a fictitious diffusion term multiplied by a positive value which tends to zero. This procedure opened the possibility to find an analytical solution to the problem studied. We report numerical simulations and analysis of the results obtained with the precision controlled by the truncation order of the series. (author)

  6. Kinetic model for quartz and spinel dissolution during melting of high-level-waste glass batch

    International Nuclear Information System (INIS)

    Pokorny, Richard; Rice, Jarrett A.; Crum, Jarrod V.; Schweiger, Michael J.; Hrma, Pavel

    2013-01-01

    The dissolution of quartz particles and the growth and dissolution of crystalline phases during the conversion of batch to glass potentially affects both the glass melting process and product quality. Crystals of spinel exiting the cold cap to molten glass below can be troublesome during the vitrification of iron-containing high-level wastes. To estimate the distribution of quartz and spinel fractions within the cold cap, we used kinetic models that relate fractions of these phases to temperature and heating rate. Fitting the model equations to data showed that the heating rate, apart from affecting quartz and spinel behavior directly, also affects them indirectly via concurrent processes, such as the formation and motion of bubbles. Because of these indirect effects, it was necessary to allow one kinetic parameter (the pre-exponential factor) to vary with the heating rate. The resulting kinetic equations are sufficiently simple for the detailed modeling of batch-to-glass conversion as it occurs in glass melters. The estimated fractions and sizes of quartz and spinel particles as they leave the cold cap, determined in this study, will provide the source terms needed for modeling the behavior of these solid particles within the flow of molten glass in the melter

  7. Latent Growth and Dynamic Structural Equation Models.

    Science.gov (United States)

    Grimm, Kevin J; Ram, Nilam

    2018-05-07

    Latent growth models make up a class of methods to study within-person change-how it progresses, how it differs across individuals, what are its determinants, and what are its consequences. Latent growth methods have been applied in many domains to examine average and differential responses to interventions and treatments. In this review, we introduce the growth modeling approach to studying change by presenting different models of change and interpretations of their model parameters. We then apply these methods to examining sex differences in the development of binge drinking behavior through adolescence and into adulthood. Advances in growth modeling methods are then discussed and include inherently nonlinear growth models, derivative specification of growth models, and latent change score models to study stochastic change processes. We conclude with relevant design issues of longitudinal studies and considerations for the analysis of longitudinal data.

  8. Kinetic description of intense nonneutral beam propagation through a periodic solenoidal focusing field based on the nonlinear Vlasov-Maxwell equations

    International Nuclear Information System (INIS)

    Davidson, R.C.; Chen, C.

    1997-08-01

    A kinetic description of intense nonneutral beam propagation through a periodic solenoidal focusing field B sol (rvec x) is developed. The analysis is carried out for a thin beam with characteristic beam radius r b much-lt S, and directed axial momentum γ b mβ b c (in the z-direction) large compared with the transverse momentum and axial momentum spread of the beam particles. Making use of the nonlinear Vlasov-Maxwell equations for general distribution function f b (rvec x,rvec p,t) and self-consistent electrostatic field consistent with the thin-beam approximation, the kinetic model is used to investigate detailed beam equilibrium properties for a variety of distribution functions. Examples are presented both for the case of a uniform solenoidal focusing field B z (z) = B 0 = const. and for the case of a periodic solenoidal focusing field B z (z + S) = B z (z). The nonlinear Vlasov-Maxwell equations are simplified in the thin-beam approximation, and an alternative Hamiltonian formulation is developed that is particularly well-suited to intense beam propagation in periodic focusing systems. Based on the present analysis, the Vlasov-Maxwell description of intense nonneutral beam propagation through a periodic solenoidal focusing field rvec B sol (rvec x) is found to be remarkably tractable and rich in physics content. The Vlasov-Maxwell formalism developed here can be extended in a straightforward manner to investigate detailed stability behavior for perturbations about specific choices of beam equilibria

  9. Two-equation and multi-fluid turbulence models for Rayleigh–Taylor mixing

    International Nuclear Information System (INIS)

    Kokkinakis, I.W.; Drikakis, D.; Youngs, D.L.; Williams, R.J.R.

    2015-01-01

    Highlights: • We present a new improved version of the K–L model. • The improved K–L is found in good agreement with the multi-fluid model and ILES. • The study concerns Rayleigh–Taylor flows at initial density ratios 3:1 and 20:1. - Abstract: This paper presents a new, improved version of the K–L model, as well as a detailed investigation of K–L and multi-fluid models with reference to high-resolution implicit large eddy simulations of compressible Rayleigh–Taylor mixing. The accuracy of the models is examined for different interface pressures and specific heat ratios for Rayleigh–Taylor flows at initial density ratios 3:1 and 20:1. It is shown that the original version of the K–L model requires modifications in order to provide comparable results to the multi-fluid model. The modifications concern the addition of an enthalpy diffusion term to the energy equation; the formulation of the turbulent kinetic energy (source) term in the K equation; and the calculation of the local Atwood number. The proposed modifications significantly improve the results of the K–L model, which are found in good agreement with the multi-fluid model and implicit large eddy simulations with respect to the self-similar mixing width; peak turbulent kinetic energy growth rate, as well as volume fraction and turbulent kinetic energy profiles. However, a key advantage of the two-fluid model is that it can represent the degree of molecular mixing in a direct way, by transferring mass between the two phases. The limitations of the single-fluid K–L model as well as the merits of more advanced Reynolds-averaged Navier–Stokes models are also discussed throughout the paper.

  10. RETRAN-02 one-dimensional kinetics model: a review

    International Nuclear Information System (INIS)

    Gose, G.C.; McClure, J.A.

    1986-01-01

    RETRAN-02 is a modular code system that has been designed for one-dimensional, transient thermal-hydraulics analysis. In RETRAN-02, core power behavior may be treated using a one-dimensional reactor kinetics model. This model allows the user to investigate the interaction of time- and space-dependent effects in the reactor core on overall system behavior for specific LWR operational transients. The purpose of this paper is to review the recent analysis and development activities related to the one dimensional kinetics model in RETRAN-02

  11. Vibrational kinetics in CO electric discharge lasers - Modeling and experiments

    Science.gov (United States)

    Stanton, A. C.; Hanson, R. K.; Mitchner, M.

    1980-01-01

    A model of CO laser vibrational kinetics is developed, and predicted vibrational distributions are compared with measurements. The experimental distributions were obtained at various flow locations in a transverse CW discharge in supersonic (M = 3) flow. Good qualitative agreement is obtained in the comparisons, including the prediction of a total inversion at low discharge current densities. The major area of discrepancy is an observed loss in vibrational energy downstream of the discharge which is not predicted by the model. This discrepancy may be due to three-dimensional effects in the experiment which are not included in the model. Possible kinetic effects which may contribute to vibrational energy loss are also examined.

  12. A two-point kinetic model for the PROTEUS reactor

    International Nuclear Information System (INIS)

    Dam, H. van.

    1995-03-01

    A two-point reactor kinetic model for the PROTEUS-reactor is developed and the results are described in terms of frequency dependent reactivity transfer functions for the core and the reflector. It is shown that at higher frequencies space-dependent effects occur which imply failure of the one-point kinetic model. In the modulus of the transfer functions these effects become apparent above a radian frequency of about 100 s -1 , whereas for the phase behaviour the deviation from a point model already starts at a radian frequency of 10 s -1 . (orig.)

  13. Modeling Kinetics of Distortion in Porous Bi-layered Structures

    DEFF Research Database (Denmark)

    Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus

    2013-01-01

    because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...

  14. Kinetic study and modeling of biosurfactant production using Bacillus sp.

    Directory of Open Access Journals (Sweden)

    Hesty Heryani

    2017-05-01

    Conclusions: For further development and industrial applications, the modified Gompertz equation is proposed to predict the cell mass and biosurfactant production as a goodness of fit was obtained with this model. The modified Gompertz equation was also extended to enable the excellent prediction of the surface tension.

  15. ECONOMETRIC APPROACH TO DIFFERENCE EQUATIONS MODELING OF EXCHANGE RATES CHANGES

    Directory of Open Access Journals (Sweden)

    Josip Arnerić

    2010-12-01

    Full Text Available Time series models that are commonly used in econometric modeling are autoregressive stochastic linear models (AR and models of moving averages (MA. Mentioned models by their structure are actually stochastic difference equations. Therefore, the objective of this paper is to estimate difference equations containing stochastic (random component. Estimated models of time series will be used to forecast observed data in the future. Namely, solutions of difference equations are closely related to conditions of stationary time series models. Based on the fact that volatility is time varying in high frequency data and that periods of high volatility tend to cluster, the most successful and popular models in modeling time varying volatility are GARCH type models and their variants. However, GARCH models will not be analyzed because the purpose of this research is to predict the value of the exchange rate in the levels within conditional mean equation and to determine whether the observed variable has a stable or explosive time path. Based on the estimated difference equation it will be examined whether Croatia is implementing a stable policy of exchange rates.

  16. Partial differential equation models in the socio-economic sciences

    KAUST Repository

    Burger, Martin; Caffarelli, Luis; Markowich, Peter A.

    2014-01-01

    Mathematical models based on partial differential equations (PDEs) have become an integral part of quantitative analysis in most branches of science and engineering, recently expanding also towards biomedicine and socio-economic sciences

  17. Dynamic data analysis modeling data with differential equations

    CERN Document Server

    Ramsay, James

    2017-01-01

    This text focuses on the use of smoothing methods for developing and estimating differential equations following recent developments in functional data analysis and building on techniques described in Ramsay and Silverman (2005) Functional Data Analysis. The central concept of a dynamical system as a buffer that translates sudden changes in input into smooth controlled output responses has led to applications of previously analyzed data, opening up entirely new opportunities for dynamical systems. The technical level has been kept low so that those with little or no exposure to differential equations as modeling objects can be brought into this data analysis landscape. There are already many texts on the mathematical properties of ordinary differential equations, or dynamic models, and there is a large literature distributed over many fields on models for real world processes consisting of differential equations. However, a researcher interested in fitting such a model to data, or a statistician interested in...

  18. Methods of mathematical modelling continuous systems and differential equations

    CERN Document Server

    Witelski, Thomas

    2015-01-01

    This book presents mathematical modelling and the integrated process of formulating sets of equations to describe real-world problems. It describes methods for obtaining solutions of challenging differential equations stemming from problems in areas such as chemical reactions, population dynamics, mechanical systems, and fluid mechanics. Chapters 1 to 4 cover essential topics in ordinary differential equations, transport equations and the calculus of variations that are important for formulating models. Chapters 5 to 11 then develop more advanced techniques including similarity solutions, matched asymptotic expansions, multiple scale analysis, long-wave models, and fast/slow dynamical systems. Methods of Mathematical Modelling will be useful for advanced undergraduate or beginning graduate students in applied mathematics, engineering and other applied sciences.

  19. Eight equation model for arbitrary shaped pipe conveying fluid

    International Nuclear Information System (INIS)

    Gale, J.; Tiselj, I.

    2006-01-01

    Linear eight-equation system for two-way coupling of single-phase fluid transient and arbitrary shaped one-dimensional pipeline movement is described and discussed. The governing phenomenon described with this system is also known as Fluid-Structure Interaction. Standard Skalak's four-equation model for axial coupling was improved with additional four Timoshenko's beam equations for description of flexural displacements and rotations. In addition to the conventional eight-equation system that enables coupling of straight sections, the applied mathematical model was improved for description of the arbitrary shaped pipeline located in two-dimensional plane. The applied model was solved with second-order accurate numerical method that is based on Godounov's characteristic upwind schemes. The model was successfully used for simulation of the rod impact induced transient and conventional instantaneous valve closure induced transient in the tank-pipe-valve system. (author)

  20. Multigroup perturbation model for kinetic analysis of nuclear reactors

    International Nuclear Information System (INIS)

    Souza, G.M.

    1989-01-01

    The scope of this work is the development of a multigroup perturbation theory for the purpose of Kinetic and dynamic analysis of nuclear reactors. The equations that describe the reactor behavior were presented in all generality and written in the shorthand notation of matrices and vectors. In the derivation of those equations indetermined operators and discretizing factors were introduced and then determined by comparision with conventional equations. Fick's Law was developed in higher orders for neutron and importance current density. The solution of the direct and adjoint fields were represented by combination of the eigenfunctions of the B and B* operators and the eigenvalue modulus equality was established mathematically. In the derivation of the reactivity expression the B operator perturbation was split in two non coupled to the flux form and level. The prompt neutrons effective mean life was derived from reactor equations and importance conservation. The establishment of the Nordheim's equation, although modified, was based on Gandini. Finally, a mathematical interpretation of the flux-trap region was avented. (author)

  1. Illness-death model: statistical perspective and differential equations.

    Science.gov (United States)

    Brinks, Ralph; Hoyer, Annika

    2018-01-27

    The aim of this work is to relate the theory of stochastic processes with the differential equations associated with multistate (compartment) models. We show that the Kolmogorov Forward Differential Equations can be used to derive a relation between the prevalence and the transition rates in the illness-death model. Then, we prove mathematical well-definedness and epidemiological meaningfulness of the prevalence of the disease. As an application, we derive the incidence of diabetes from a series of cross-sections.

  2. A multi water bag model of drift kinetic electron plasma

    International Nuclear Information System (INIS)

    Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.

    2014-01-01

    A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)

  3. Computer-Aided Construction of Chemical Kinetic Models

    Energy Technology Data Exchange (ETDEWEB)

    Green, William H. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2014-12-31

    The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.

  4. Ab initio and kinetic modeling studies of formic acid oxidation

    DEFF Research Database (Denmark)

    Marshall, Paul; Glarborg, Peter

    2015-01-01

    A detailed chemical kinetic model for oxidation of formic acid (HOCHO) in flames has been developed, based on theoretical work and data from literature. Ab initio calculations were used to obtain rate coefficients for reactions of HOCHO with H, O, and HO2. Modeling predictions with the mechanism...

  5. A mathematical model of combustion kinetics of municipal solid ...

    African Journals Online (AJOL)

    Municipal Solid Waste has become a serious environmental problem troubling many cities. In this paper, a mathematical model of combustion kinetics of municipal solid waste with focus on plastic waste was studied. An analytical solution is obtained for the model. From the numerical simulation, it is observed that the ...

  6. Simplified kinetic models of methanol oxidation on silver

    DEFF Research Database (Denmark)

    Andreasen, A.; Lynggaard, H.; Stegelmann, C.

    2005-01-01

    Recently the authors developed a microkinetic model of methanol oxidation on silver [A. Andreasen, H. Lynggaard, C. Stegelmann, P. Stoltze, Surf. Sci. 544 (2003) 5-23]. The model successfully explains both surface science experiments and kinetic experiments at industrial conditions applying...

  7. Kinetic equation of Lagrange particles and turbulence of an incompressible fluid

    International Nuclear Information System (INIS)

    Gordienko, S.N.

    1999-01-01

    Closed equation for the two-point function of the velocity and pressure gradient distribution is obtained. The spectral properties of the turbulent flow are studied on the basis of the analysis of scaling properties of the above equation and the problem on the role of the vorticity distribution in a turbulent flow alternation was considered. It is shown, that alternation is connected with boundary conditions. The geometric picture of the alternation is found. It is established, that distribution of the vorticity and correspondingly the role of alternation in the currents with spirality and without spirality are completely different

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  9. Sum rule limitations of kinetic particle-production models

    International Nuclear Information System (INIS)

    Knoll, J.; CEA Centre d'Etudes Nucleaires de Grenoble, 38; Guet, C.

    1988-04-01

    Photoproduction and absorption sum rules generalized to systems at finite temperature provide a stringent check on the validity of kinetic models for the production of hard photons in intermediate energy nuclear collisions. We inspect such models for the case of nuclear matter at finite temperature employed in a kinetic regime which copes those encountered in energetic nuclear collisions, and find photon production rates which significantly exceed the limits imposed by the sum rule even under favourable concession. This suggests that coherence effects are quite important and the production of photons cannot be considered as an incoherent addition of individual NNγ production processes. The deficiencies of present kinetic models may also apply for the production of probes such as the pion which do not couple perturbatively to the nuclear currents. (orig.)

  10. A kinetic approach to magnetospheric modeling

    International Nuclear Information System (INIS)

    Whipple, E.C. Jr.

    1979-01-01

    The earth's magnetosphere is caused by the interaction between the flowing solar wind and the earth's magnetic dipole, with the distorted magnetic field in the outer parts of the magnetosphere due to the current systems resulting from this interaction. It is surprising that even the conceptually simple problem of the collisionless interaction of a flowing plasma with a dipole magnetic field has not been solved. A kinetic approach is essential if one is to take into account the dispersion of particles with different energies and pitch angles and the fact that particles on different trajectories have different histories and may come from different sources. Solving the interaction problem involves finding the various types of possible trajectories, populating them with particles appropriately, and then treating the electric and magnetic fields self-consistently with the resulting particle densities and currents. This approach is illustrated by formulating a procedure for solving the collisionless interaction problem on open field lines in the case of a slowly flowing magnetized plasma interacting with a magnetic dipole

  11. A kinetic approach to magnetospheric modeling

    Science.gov (United States)

    Whipple, E. C., Jr.

    1979-01-01

    The earth's magnetosphere is caused by the interaction between the flowing solar wind and the earth's magnetic dipole, with the distorted magnetic field in the outer parts of the magnetosphere due to the current systems resulting from this interaction. It is surprising that even the conceptually simple problem of the collisionless interaction of a flowing plasma with a dipole magnetic field has not been solved. A kinetic approach is essential if one is to take into account the dispersion of particles with different energies and pitch angles and the fact that particles on different trajectories have different histories and may come from different sources. Solving the interaction problem involves finding the various types of possible trajectories, populating them with particles appropriately, and then treating the electric and magnetic fields self-consistently with the resulting particle densities and currents. This approach is illustrated by formulating a procedure for solving the collisionless interaction problem on open field lines in the case of a slowly flowing magnetized plasma interacting with a magnetic dipole.

  12. Random-Effects Models for Meta-Analytic Structural Equation Modeling: Review, Issues, and Illustrations

    Science.gov (United States)

    Cheung, Mike W.-L.; Cheung, Shu Fai

    2016-01-01

    Meta-analytic structural equation modeling (MASEM) combines the techniques of meta-analysis and structural equation modeling for the purpose of synthesizing correlation or covariance matrices and fitting structural equation models on the pooled correlation or covariance matrix. Both fixed-effects and random-effects models can be defined in MASEM.…

  13. Presenting a new kinetic model for methanol to light olefins reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson mechanism

    Science.gov (United States)

    Javad Azarhoosh, Mohammad; Halladj, Rouein; Askari, Sima

    2017-10-01

    In this study, a new kinetic model for methanol to light olefins (MTO) reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson (LHHW) mechanism was presented and the kinetic parameters was obtained using a genetic algorithm (GA) and genetic programming (GP). Several kinetic models for the MTO reactions have been presented. However, due to the complexity of the reactions, most reactions are considered lumped and elementary, which cannot be deemed a completely accurate kinetic model of the process. Therefore, in this study, the LHHW mechanism is presented as kinetic models of MTO reactions. Because of the non-linearity of the kinetic models and existence of many local optimal points, evolutionary algorithms (GA and GP) are used in this study to estimate the kinetic parameters in the rate equations. Via the simultaneous connection of the code related to modelling the reactor and the GA and GP codes in the MATLAB R2013a software, optimization of the kinetic models parameters was performed such that the least difference between the results from the kinetic models and experiential results was obtained and the best kinetic parameters of MTO process reactions were achieved. A comparison of the results from the model with experiential results showed that the present model possesses good accuracy.

  14. Contribution to the modelling and multi-scale numerical simulation of kinetic electron transport in hot plasma

    International Nuclear Information System (INIS)

    Mallet, J.

    2012-01-01

    This research thesis stands at the crossroad of plasma physics, numerical analysis and applied mathematics. After an introduction presenting the problematic and previous works, the author recalls some basis of classical kinetic models for plasma physics (collisionless kinetic theory and Vlasov equation, collisional kinetic theory with the non-relativistic Maxwell-Fokker-Plansk system) and describes the fundamental properties of the collision operators such as conservation laws, entropy dissipation, and so on. He reports the improvement of a deterministic numerical method to solve the non-relativistic Vlasov-Maxwell system coupled with Fokker-Planck-Landau type operators. The efficiency of each high order scheme is compared. The evolution of the hot spot is studied in the case of thermonuclear reactions in the centre of the pellet in a weakly collisional regime. The author focuses on the simulation of the kinetic electron collisional transport in inertial confinement fusion (ICF) between the laser absorption zone and the ablation front. A new approach is then introduced to reduce the huge computation time obtained with kinetic models. In a last chapter, the kinetic continuous equation in spherical domain is described and a new model is chosen for collisions in order to preserve collision properties

  15. A quasilinear kinetic model for solar wind electrons and protons instabilities

    Science.gov (United States)

    Sarfraz, M.; Yoon, P. H.

    2017-12-01

    In situ measurements confirm the anisotropic behavior in temperatures of solar wind species. These anisotropies associated with charge particles are observed to be relaxed. In collionless limit, kinetic instabilities play a significant role to reshape particles distribution. The linear analysis results are encapsulated in inverse relationship between anisotropy and plasma beta based observations fittings techniques, simulations methods, or solution of linearized Vlasov equation. Here amacroscopic quasilinear technique is adopted to confirm inverse relationship through solutions of set of self-consistent kinetic equations. Firstly, for a homogeneous and non-collisional medium, quasilinear kinetic model is employed to display asymptotic variations of core and halo electrons temperatures and saturations of wave energy densities for electromagnetic electron cyclotron (EMEC) instability sourced by, T⊥}>T{∥ . It is shown that, in (β ∥ , T⊥}/T{∥ ) phase space, the saturations stages of anisotropies associated with core and halo electrons lined up on their respective marginal stability curves. Secondly, for case of electrons firehose instability ignited by excessive parallel temperature i.e T⊥}>T{∥ , both electrons and protons are allowed to dynamically evolve in time. It is also observed that, the trajectories of protons and electrons at saturation stages in phase space of anisotropy and plasma beta correspond to proton cyclotron and firehose marginal stability curves, respectively. Next, the outstanding issue that most of observed proton data resides in nearly isotropic state in phase space is interpreted. Here, in quasilinear frame-work of inhomogeneous solar wind system, a set of self-consistent quasilinear equations is formulated to show a dynamical variations of temperatures with spatial distributions. On choice of different initial parameters, it is shown that, interplay of electron and proton instabilities provides an counter-balancing force to slow

  16. Differential equations and integrable models: the SU(3) case

    International Nuclear Information System (INIS)

    Dorey, Patrick; Tateo, Roberto

    2000-01-01

    We exhibit a relationship between the massless a 2 (2) integrable quantum field theory and a certain third-order ordinary differential equation, thereby extending a recent result connecting the massless sine-Gordon model to the Schroedinger equation. This forms part of a more general correspondence involving A 2 -related Bethe ansatz systems and third-order differential equations. A non-linear integral equation for the generalised spectral problem is derived, and some numerical checks are performed. Duality properties are discussed, and a simple variant of the non-linear equation is suggested as a candidate to describe the finite volume ground state energies of minimal conformal field theories perturbed by the operators phi 12 , phi 21 and phi 15 . This is checked against previous results obtained using the thermodynamic Bethe ansatz

  17. Transperitoneal transport of creatinine. A comparison of kinetic models

    DEFF Research Database (Denmark)

    Fugleberg, S; Graff, J; Joffe, P

    1994-01-01

    Six kinetic models of transperitoneal creatinine transport were formulated and validated on the basis of experimental results obtained from 23 non-diabetic patients undergoing peritoneal dialysis. The models were designed to elucidate the presence or absence of diffusive, non-lymphatic convective...... including all three forms of transport is superior to other models. We conclude that the best model of transperitoneal creatinine transport includes diffusion, non-lymphatic convective transport and lymphatic convective transport....

  18. Modeling Adsorption Kinetics (Bio-remediation of Heavy Metal Contaminated Water)

    Science.gov (United States)

    McCarthy, Chris

    My talk will focus on modeling the kinetics of the adsorption and filtering process using differential equations, stochastic methods, and recursive functions. The models have been developed in support of our interdisciplinary lab group which is conducting research into bio-remediation of heavy metal contaminated water via filtration through biomass such as spent tea leaves. The spent tea leaves are available in large quantities as a result of the industrial production of tea beverages. The heavy metals bond with the surfaces of the tea leaves (adsorption). Funding: CUNY Collaborative Incentive Research Grant.

  19. Explicit equilibria in a kinetic model of gambling

    Science.gov (United States)

    Bassetti, F.; Toscani, G.

    2010-06-01

    We introduce and discuss a nonlinear kinetic equation of Boltzmann type which describes the evolution of wealth in a pure gambling process, where the entire sum of wealths of two agents is up for gambling, and randomly shared between the agents. For this equation the analytical form of the steady states is found for various realizations of the random fraction of the sum which is shared to the agents. Among others, the exponential distribution appears as steady state in case of a uniformly distributed random fraction, while Gamma distribution appears for a random fraction which is Beta distributed. The case in which the gambling game is only conservative-in-the-mean is shown to lead to an explicit heavy tailed distribution.

  20. Simplified modeling of simultaneous reaction kinetics of carbon oxidation and nitrification in biofilm processes

    Energy Technology Data Exchange (ETDEWEB)

    Tsuneda, S.; Auresenia, J.; Hibiya, K.; Hirata, A. [Waseda University, Department of Chemical Engineering, 3-4-1 Ohkubo, Shinjuku-ku, Tokyo 169-8555 (Japan)

    2004-06-01

    Batch experiments with varying initial substrate concentrations and biomass volumes were performed in a three-phase fluidized bed biofilm reactor treating simulated domestic wastewater to study the simultaneous carbon oxidation and nitrification in the biofilm process. A simplified mass balance equation for the biofilm was proposed and five different kinetic rate equations were used to match the actual data. The kinetic parameters were obtained by nonlinear regression analysis on a set of two differential equations representing the simultaneous carbon oxidation and nitrification. The competitive inhibition model incorporating the effects of total organic carbon (TOC) concentrations on nitrification rates was the best-suited model based on the average r{sup 2}. In this model, oxygen concentration and its affinity constants were not included. Instead, it was assumed that the rate of carbon oxidation is independent of the NH{sub 4}{sup +}-N, while nitrification is affected by TOC. The number of parameters was successfully minimized without reducing its ability to accurately predict the bulk concentration time course, which would reduce computational complexity and possibly enhance the availability for an actual wastewater treatment process. (Abstract Copyright [2004], Wiley Periodicals, Inc.)