#### Sample records for kinetic equations

1. Kinetic Equations for Economic Sciences

NASA Astrophysics Data System (ADS)

Bisi, M.; Brugna, C.

2010-04-01

We discuss, both from the analytical and the numerical point of view, a kinetic model for wealth distribution in a simple market economy which models, besides binary trade interactions, also taxation and redistribution of collected wealth.

2. Boltzmann kinetic equation for filtered fluid turbulence.

PubMed

Girimaji, Sharath S

2007-07-20

We develop a kinetic Boltzmann equation for describing filtered fluid turbulence applicable for continuum and noncontinuum effects. The effect of unresolved turbulent motion on the resolved distribution function is elucidated and closure modeling issues of kinetic Boltzmann and Navier-Stokes descriptions are reconciled. This could pave the way for unifying turbulence modeling at kinetic and continuum levels and the development of numerical methods that are valid over a wide range of flow physics. PMID:17678288

3. Turbulence kinetic energy equation for dilute suspensions

NASA Technical Reports Server (NTRS)

Abou-Arab, T. W.; Roco, M. C.

1989-01-01

A multiphase turbulence closure model is presented which employs one transport equation, namely the turbulence kinetic energy equation. The proposed form of this equation is different from the earlier formulations in some aspects. The power spectrum of the carrier fluid is divided into two regions, which interact in different ways and at different rates with the suspended particles as a function of the particle-eddy size ratio and density ratio. The length scale is described algebraically. A mass/time averaging procedure for the momentum and kinetic energy equations is adopted. The resulting turbulence correlations are modeled under less retrictive assumptions comparative to previous work. The closures for the momentum and kinetic energy equations are given. Comparisons of the predictions with experimental results on liquid-solid jet and gas-solid pipe flow show satisfactory agreement.

4. Spectrum Analysis of Some Kinetic Equations

NASA Astrophysics Data System (ADS)

Yang, Tong; Yu, Hongjun

2016-05-01

We analyze the spectrum structure of some kinetic equations qualitatively by using semigroup theory and linear operator perturbation theory. The models include the classical Boltzmann equation for hard potentials with or without angular cutoff and the Landau equation with {γ≥q-2} . As an application, we show that the solutions to these two fundamental equations are asymptotically equivalent (mod time decay rate {t^{-5/4}} ) as {tto∞} to that of the compressible Navier-Stokes equations for initial data around an equilibrium state.

5. Stochastic thermodynamics for linear kinetic equations

NASA Astrophysics Data System (ADS)

Van den Broeck, C.; Toral, R.

2015-07-01

Stochastic thermodynamics is formulated for variables that are odd under time reversal. The invariance under spatial rotation of the collision rates due to the isotropy of the heat bath is shown to be a crucial ingredient. An alternative detailed fluctuation theorem is derived, expressed solely in terms of forward statistics. It is illustrated for a linear kinetic equation with kangaroo rates.

6. On a Kinetic Equation for Coalescing Particles

NASA Astrophysics Data System (ADS)

Escobedo, Miguel; Laurençot, Philippe; Mischler, Stéphane

Existence of global weak solutions to a spatially inhomogeneous kinetic model for coalescing particles is proved, each particle being identified by its mass, momentum and position. The large time convergence to zero is also shown. The cornestone of our analysis is that, for any nonnegative and convex function, the associated Orlicz norm is a Liapunov functional. Existence and asymptotic behaviour then rely on weak and strong compactness methods in L1 in the spirit of the DiPerna-Lions theory for the Boltzmann equation.

7. Benchmarks for the point kinetics equations

SciTech Connect

Ganapol, B.; Picca, P.; Previti, A.; Mostacci, D.

2013-07-01

A new numerical algorithm is presented for the solution to the point kinetics equations (PKEs), whose accurate solution has been sought for over 60 years. The method couples the simplest of finite difference methods, a backward Euler, with Richardsons extrapolation, also called an acceleration. From this coupling, a series of benchmarks have emerged. These include cases from the literature as well as several new ones. The novelty of this presentation lies in the breadth of reactivity insertions considered, covering both prescribed and feedback reactivities, and the extreme 8- to 9- digit accuracy achievable. The benchmarks presented are to provide guidance to those who wish to develop further numerical improvements. (authors)

8. Hypocoercivity of linear degenerately dissipative kinetic equations

NASA Astrophysics Data System (ADS)

Duan, Renjun

2011-08-01

In this paper we develop a general approach of studying the hypocoercivity for a class of linear kinetic equations with both transport and degenerately dissipative terms. As concrete examples, the relaxation operator, Fokker-Planck operator and linearized Boltzmann operator are considered when the spatial domain takes the whole space or torus and when there is a confining force or not. The key part of the developed approach is to construct some equivalent temporal energy functionals for obtaining time rates of the solution trending towards equilibrium in some Hilbert spaces. The result in the case of the linear Boltzmann equation with confining forces is new. The proof mainly makes use of the macro-micro decomposition combined with Kawashima's argument on dissipation of the hyperbolic-parabolic system. At the end, a Korn-type inequality with probability measure is provided to deal with dissipation of momentum components.

9. Test of Relativistic Kinetic Energy Equation

NASA Astrophysics Data System (ADS)

Chaudhary, Bharat

2014-03-01

Kinetic energy of a body equals the work done on it by a force, constant or variable. Force is the time rate of change of momentum. Momentum is mass times velocity. According to special relativity mass and velocity both are variables. Therefore, the differentiation of their product (momentum) has two terms, both are variables. One term is the product of mass and acceleration. The other is of velocity and the rate of change of mass. They together equal the applied force. Since the force equals the sum of two variable terms, it also becomes a variable even if it was a constant earlier. Therefore it is a flaw. There are two more flaws in the force equation. They are found by putting the force equal to zero. When this is done, the acceleration doesn't become zero. This is physically incompatible and is therefore a flaw. The other flaw in the equation is found by integrating the right side terms and evaluating the constant of integration from the initial conditions. Then we get a term containing logarithm of zero that is undefined, therefore the expression so obtained is meaningless. Since it comes from the relativistic definition of force, therefore we conclude that this definition is wrong. Thus we find that there are three flaws in the relativistic definition of force. They all make the relativistic equation of force wrong.

10. Neutrino quantum kinetic equations: The collision term

DOE PAGESBeta

Blaschke, Daniel N.; Cirigliano, Vincenzo

2016-08-25

We derive the collision term relevant for neutrino quantum kinetic equations in the early universe and compact astrophysical objects, displaying its full matrix structure in both flavor and spin degrees of freedom. We include in our analysis neutrino-neutrino processes, scattering and annihilation with electrons and positrons, and neutrino scattering off nucleons (the latter in the low-density limit). After presenting the general structure of the collision terms, we take two instructive limiting cases. The one-flavor limit highlights the structure in helicity space and allows for a straightforward interpretation of the off-diagonal entries in terms of the product of scattering amplitudes ofmore » the two helicity states. As a result, the isotropic limit is relevant for studies of the early universe: in this case the terms involving spin coherence vanish and the collision term can be expressed in terms of two-dimensional integrals, suitable for computational implementation.« less

11. Kinetic equation for spin-polarized plasmas

SciTech Connect

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/sup -4/S/sup -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.)

12. Moment equations for chromatography based on Langmuir type reaction kinetics.

PubMed

Miyabe, Kanji

2014-08-22

Moment equations were derived for chromatography, in which the reaction kinetics between solute molecules and functional ligands on the stationary phase was represented by the Langmuir type rate equation. A set of basic equations of the general rate model of chromatography representing the mass balance, mass transfer rate, and reaction kinetics in the column were analytically solved in the Laplace domain. The moment equations for the first absolute moment and the second central moment in the real time domain were derived from the analytical solution in the Laplace domain. The moment equations were used for predicting the chromatographic behavior under hypothetical HPLC conditions. The influence of the parameters relating to the adsorption equilibrium and to the reaction kinetics on the chromatographic behavior was quantitatively evaluated. It is expected that the moment equations are effective for a detailed analysis of the influence of the mass transfer rates and of the Langmuir type reaction kinetics on the column efficiency. PMID:24999066

13. Drift-free kinetic equations for turbulent dispersion.

PubMed

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. PMID:23214875

14. Calculation of coupling coefficients for equations of multipoint kinetics

NASA Astrophysics Data System (ADS)

Ioannisian, M. V.

2013-12-01

The multipoint kinetics equations for fission reaction rate are developed. The algorithm for computation of coupling coefficients is implemented within the MCU-5 code. Results from approbation of the method using the model problem and experimental data are presented.

15. Fractional kinetic equation for Hamiltonian chaos

NASA Astrophysics Data System (ADS)

Zaslavsky, G. M.

1994-09-01

Hamiltonian chaotic dynamics of particles (or passive particles in fluids) can be described by a fractional generalization of the Fokker-Planck-Kolmogorov equation (FFPK) which is defined by two fractional critical exponents (α, β) responsible for the space and time derivatives of the distribution function correspondingly. A renormalization method has been proposed to determine (α, β) from the first principles (ie. from the Hamiltonian). The anomalous transport exponent μ is derived as μ = β/α or μ = β/2α for the first order mean displacement in self-similar transport.

16. Turbulent kinetic energy equation and free mixing

NASA Technical Reports Server (NTRS)

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.

17. The Linearized Kinetic Equation -- A Functional Analytic Approach

NASA Astrophysics Data System (ADS)

Brinkmann, Ralf Peter

2009-10-01

Kinetic models of plasma phenomena are difficult to address for two reasons. They i) are given as systems of nonlinear coupled integro-differential equations, and ii) involve generally six-dimensional distribution functions f(r,v,t). In situations which can be addressed in a linear regime, the first difficulty disappears, but the second one still poses considerable practical problems. This contribution presents an abstract approach to linearized kinetic theory which employs the methods of functional analysis. A kinetic electron equation with elastic electron-neutral interaction is studied in the electrostatic approximation. Under certain boundary conditions, a nonlinear functional, the kinetic free energy, exists which has the properties of a Lyapunov functional. In the linear regime, the functional becomes a quadratic form which motivates the definition of a bilinear scalar product, turning the space of all distribution functions into a Hilbert space. The linearized kinetic equation can then be described in terms of dynamical operators with well-defined properties. Abstract solutions can be constructed which have mathematically plausible properties. As an example, the formalism is applied to the example of the multipole resonance probe (MRP). Under the assumption of a Maxwellian background distribution, the kinetic model of that diagnostics device is compared to a previously investigated fluid model.

18. Drift kinetic equation exact through second order in gyroradius expansion

SciTech Connect

Simakov, Andrei N.; Catto, Peter J.

2005-01-01

The drift kinetic equation of Hazeltine [R. D. Hazeltine, Plasma Phys. 15, 77 (1973)] for a magnetized plasma of arbitrary collisionality is widely believed to be exact through the second order in the gyroradius expansion. It is demonstrated that this equation is only exact through the first order. The reason is that when evaluating the second-order gyrophase dependent distribution function, Hazeltine neglected contributions from the first-order gyrophase dependent distribution function, and then used this incomplete expression to derive the equation for the gyrophase independent distribution function. Consequently, the second-order distribution function and the stress tensor derived by this approach are incomplete. By relaxing slightly Hazeltine's orderings one is able to obtain a drift kinetic equation accurate through the second order in the gyroradius expansion. In addition, the gyroviscous stress tensor for plasmas of arbitrary collisionality is obtained.

19. Consistent description of kinetic equation with triangle anomaly

SciTech Connect

Pu Shi; Gao Jianhua; Wang Qun

2011-05-01

We provide a consistent description of the kinetic equation with a triangle anomaly which is compatible with the entropy principle of the second law of thermodynamics and the charge/energy-momentum conservation equations. In general an anomalous source term is necessary to ensure that the equations for the charge and energy-momentum conservation are satisfied and that the correction terms of distribution functions are compatible to these equations. The constraining equations from the entropy principle are derived for the anomaly-induced leading order corrections to the particle distribution functions. The correction terms can be determined for the minimum number of unknown coefficients in one charge and two charge cases by solving the constraining equations.

20. Enzyme Kinetics and the Michaelis-Menten Equation

ERIC Educational Resources Information Center

Biaglow, Andrew; Erickson, Keith; McMurran, Shawnee

2010-01-01

The concepts presented in this article represent the cornerstone of classical mathematical biology. The central problem of the article relates to enzyme kinetics, which is a biochemical system. However, the theoretical underpinnings that lead to the formation of systems of time-dependent ordinary differential equations have been applied widely to…

1. General Entropic Approximations for Canonical Systems Described by Kinetic Equations

NASA Astrophysics Data System (ADS)

Pavan, V.

2011-02-01

In this paper we extend the general construction of entropic approximation for kinetic operators modelling canonical systems. More precisely, this paper aims at pursuing to thermalized systems the works of Levermore, Schneider and Junk on moments problems relying on entropy minimization in order to construct BGK approximations and moments based equations.

2. Kinetic schemes for the ultra-relativistic Euler equations

NASA Astrophysics Data System (ADS)

Kunik, Matthias; Qamar, Shamsul; Warnecke, Gerald

2003-05-01

We present a kinetic numerical scheme for the relativistic Euler equations, which describe the flow of a perfect fluid in terms of the particle density n, the spatial part of the four-velocity u and the pressure p. The kinetic approach is very simple in the ultra-relativistic limit, but may also be applied to more general cases. The basic ingredients of the kinetic scheme are the phase-density in equilibrium and the free flight. The phase-density generalizes the non-relativistic Maxwellian for a gas in local equilibrium. The free flight is given by solutions of a collision free kinetic transport equation. The scheme presented here is an explicit method and unconditionally stable. We establish that the conservation laws of mass, momentum and energy as well as the entropy inequality are everywhere exactly satisfied by the solution of the kinetic scheme. For that reason we obtain weak admissible Euler solutions including arbitrarily complicated shock interactions. In the numerical case studies the results obtained from the kinetic scheme are compared with the first order upwind and centered schemes.

3. Spectral function and kinetic equation for a normal Fermi liquid

SciTech Connect

Arshad, M.; Siddique, I.; Kondratyev, A. S.

2007-08-01

On the basis of the Kadanoff-Baym (KB) version of the time-dependent Green's function method, an Ansatz for the approximation of a spectral function is offered. The Ansatz possesses all the advantages of quasiparticle and extended quasiparticle approximations and satisfies the KB equation for a spectral function in the case of slightly nonequilibrium system when disturbances in space and time are taken into consideration in the gradient approximation. This feature opens opportunities for the microscopic derivation of the Landau kinetic equation for the quasiparticle distribution function of the normal Fermi liquid and provides the widening of these equations' temperature range of validity.

4. Bounce-averaged Kinetic Equations and Neoclassical Polarization Density

SciTech Connect

First Author = B.H. Fong; T.S. Hahm

1998-07-01

The rigorous formulation of the bounce-averaged equations is presented based upon the Poincare-Cartan one-form andLie perturbation methods. The resulting bounce-averaged Vlasov equation is Hamiltonian, thus suitable for theself-consistent simulation of low-frequency electrostatic turbulence in the trapped ion mode regime. In the bounce-kineticPoisson equation, the "neoclassical polarization density" arises from the difference between bounce-averaged banana centerand real trapped particle densities across a field line. This representation of the neoclassical polarization drift as ashielding term provides a systematic way to study the long-term behavior of the turbulence-driven E x B flow.

5. Kinetic equations for diffusion in the presence of entropic barriers.

PubMed

Reguera, D; Rubí, J M

2001-12-01

We use the mesoscopic nonequilibrium thermodynamics theory to derive the general kinetic equation of a system in the presence of potential barriers. The result is applied to a description of the evolution of systems whose dynamics is influenced by entropic barriers. We analyze in detail the case of diffusion in a domain of irregular geometry in which the presence of the boundaries induces an entropy barrier when approaching the exact dynamics by a coarsening of the description. The corresponding kinetic equation, named the Fick-Jacobs equation, is obtained, and its validity is generalized through the formulation of a scaling law for the diffusion coefficient which depends on the shape of the boundaries. The method we propose can be useful to analyze the dynamics of systems at the nanoscale where the presence of entropy barriers is a common feature. PMID:11736170

6. A kinetic equation with kinetic entropy functions for scalar conservation laws

NASA Technical Reports Server (NTRS)

Perthame, Benoit; Tadmor, Eitan

1990-01-01

A nonlinear kinetic equation is constructed and proved to be well-adapted to describe general multidimensional scalar conservation laws. In particular, it is proved to be well-posed uniformly in epsilon - the microscopic scale. It is also shown that the proposed kinetic equation is equipped with a family of kinetic entropy functions - analogous to Boltzmann's microscopic H-function, such that they recover Krushkov-type entropy inequality on the macroscopic scale. Finally, it is proved by both - BV compactness arguments in the one-dimensional case, that the local density of kinetic particles admits a continuum limit, as it converges strongly with epsilon below 0 to the unique entropy solution of the corresponding conservation law.

7. Derivation of the Drude conductivity from quantum kinetic equations

NASA Astrophysics Data System (ADS)

Kitamura, Hikaru

2015-11-01

The Drude formula of ac (frequency-dependent) electric conductivity has been established as a simple and practically useful model to understand the electromagnetic response of simple free-electron-like metals. In most textbooks of solid-state physics, the Drude formula is derived from either a classical equation of motion or the semiclassical Boltzmann transport equation. On the other hand, quantum-mechanical derivation of the Drude conductivity, which requires an appropriate treatment of phonon-assisted intraband transitions with small momentum transfer, has not been well documented except for the zero- or high-frequency case. Here, a lucid derivation of the Drude conductivity that covers the entire frequency range is presented by means of quantum kinetic equations in the density-matrix formalism. The derivation is straightforward so that advanced undergraduate students or early-year graduate students will be able to gain insight into the link between the microscopic Schrödinger equation and macroscopic transport.

8. Analytical Derivation of Moment Equations in Stochastic Chemical Kinetics

PubMed Central

Sotiropoulos, Vassilios; Kaznessis, Yiannis N.

2011-01-01

The master probability equation captures the dynamic behavior of a variety of stochastic phenomena that can be modeled as Markov processes. Analytical solutions to the master equation are hard to come by though because they require the enumeration of all possible states and the determination of the transition probabilities between any two states. These two tasks quickly become intractable for all but the simplest of systems. Instead of determining how the probability distribution changes in time, we can express the master probability distribution as a function of its moments, and, we can then write transient equations for the probability distribution moments. In 1949, Moyal defined the derivative, or jump, moments of the master probability distribution. These are measures of the rate of change in the probability distribution moment values, i.e. what the impact is of any given transition between states on the moment values. In this paper we present a general scheme for deriving analytical moment equations for any N-dimensional Markov process as a function of the jump moments. Importantly, we propose a scheme to derive analytical expressions for the jump moments for any N-dimensional Markov process. To better illustrate the concepts, we focus on stochastic chemical kinetics models for which we derive analytical relations for jump moments of arbitrary order. Chemical kinetics models are widely used to capture the dynamic behavior of biological systems. The elements in the jump moment expressions are a function of the stoichiometric matrix and the reaction propensities, i.e the probabilistic reaction rates. We use two toy examples, a linear and a non-linear set of reactions, to demonstrate the applicability and limitations of the scheme. Finally, we provide an estimate on the minimum number of moments necessary to obtain statistical significant data that would uniquely determine the dynamics of the underlying stochastic chemical kinetic system. The first two moments

9. Immersed boundary method for Boltzmann model kinetic equations

NASA Astrophysics Data System (ADS)

Pekardan, Cem; Chigullapalli, Sruti; Sun, Lin; Alexeenko, Alina

2012-11-01

Three different immersed boundary method formulations are presented for Boltzmann model kinetic equations such as Bhatnagar-Gross-Krook (BGK) and Ellipsoidal statistical Bhatnagar-Gross-Krook (ESBGK) model equations. 1D unsteady IBM solution for a moving piston is compared with the DSMC results and 2D quasi-steady microscale gas damping solutions are verified by a conformal finite volume method solver. Transient analysis for a sinusoidally moving beam is also carried out for the different pressure conditions (1 atm, 0.1 atm and 0.01 atm) corresponding to Kn=0.05,0.5 and 5. Interrelaxation method (Method 2) is shown to provide a faster convergence as compared to the traditional interpolation scheme used in continuum IBM formulations. Unsteady damping in rarefied regime is characterized by a significant phase-lag which is not captured by quasi-steady approximations.

10. Coarse-grained kinetic equations for quantum systems

NASA Astrophysics Data System (ADS)

Petrov, E. G.

2013-01-01

The nonequilibrium density matrix method is employed to derive a master equation for the averaged state populations of an open quantum system subjected to an external high frequency stochastic field. It is shown that if the characteristic time τstoch of the stochastic process is much lower than the characteristic time τsteady of the establishment of the system steady state populations, then on the time scale Δ t ˜ τsteady, the evolution of the system populations can be described by the coarse-grained kinetic equations with the averaged transition rates. As an example, the exact averaging is carried out for the dichotomous Markov process of the kangaroo type.

11. Hamiltonian fluid reductions of drift-kinetic equations and the link with water-bags

NASA Astrophysics Data System (ADS)

Perin, M.; Chandre, C.; Tassi, E.

2016-07-01

Hamiltonian models for the first three moments of the drift-kinetic distribution function, namely the density, the fluid velocity and the parallel pressure, are derived from the Hamiltonian structure of the drift-kinetic equations. The link with the water-bag closure is established, showing that, unlike the one-dimensional Vlasov equations, these solutions are the only Hamiltonian fluid reductions for the drift-kinetic equation. These models are discussed through their equations of motion and their Casimir invariants.

12. Pauli equation for semiconductor quantum dot photoluminescence kinetics investigation

NASA Astrophysics Data System (ADS)

Turkov, Vadim K.; Leonov, Mikhail Y.; Rukhlenko, Ivan D.; Fedorov, Anatoly V.

2012-11-01

We develop a theory of secondary emission from a single quantum dot, when the lowest-energy states of its electron-hole pairs are involved in the photoluminescence process. For the sake of definiteness, our model allows for two states contributing to the luminescence. We analyze the dependency of secondary emission intensity on the energy gap between the states, while considering that the gap is determined by the quantum dot's size. An analytical expression for the time-dependent signal of thermalized luminescence is obtained using an analytical solution to the kinetic Pauli equation. This expression yields the signal of stationary luminescence as the spectral width of the excitation pulse tends to zero.

13. Kinetic equations for baryogenesis via sterile neutrino oscillation

NASA Astrophysics Data System (ADS)

Asaka, Takehiko; Eijima, Sintaro; Ishida, Hiroyuki

2012-02-01

We investigate baryogenesis in the νMSM (neutrino Minimal Standard Model), which is the SM extended by three right-handed neutrinos with masses below the electroweak scale. The baryon asymmetry of the universe can be generated by the mechanism via flavor oscillation of right-handed (sterile) neutrinos which are responsible to masses of active neutrinos confirmed by various experiments. We present the kinetic equations for the matrix of densities of leptons which describe the generation of asymmetries. Especially, the momentum dependence of the matrix of densities is taken into account. By solving these equations numerically, it is found that the momentum distribution is significantly distorted from the equilibrium one, since the production for the modes with lower momenta k << T (T is the temperature of the universe) is enhanced, while suppressed for higher modes. As a result, the most important mode for the yields of sterile neutrinos as well as the baryon asymmetry is k simeq 2T, which is smaller than langlekrangle inferred from the thermal average. The comparison with the previous works is also discussed.

14. Verification of continuum drift kinetic equation solvers in NIMROD

NASA Astrophysics Data System (ADS)

Held, E. D.; Kruger, S. E.; Ji, J.-Y.; Belli, E. A.; Lyons, B. C.

2015-03-01

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.

15. Verification of continuum drift kinetic equation solvers in NIMROD

SciTech Connect

Held, E. D.; Ji, J.-Y.; Kruger, S. E.; Belli, E. A.; Lyons, B. C.

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.

16. A quasi-linear kinetic equation for cosmic rays in the interplanetary medium

NASA Technical Reports Server (NTRS)

Luhmann, J. G.

1976-01-01

A kinetic equation for interplanetary cosmic rays is set up with the aid of weak-plasma-turbulence theory for an idealized radially symmetric model of the interplanetary magnetic field. As a starting point, this treatment invokes the Vlasov equation instead of the traditional Fokker-Planck equation. Quasi-linear theory is applied to obtain a momentum diffusion equation for the heliocentric frame of reference which describes the interaction of cosmic rays with convecting magnetic irregularities in the solar-wind plasma. Under restricted conditions, the well-known equation of solar modulation can be obtained from this kinetic equation.

17. A comparison of the efficiency of numerical methods for integrating chemical kinetic rate equations

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1984-01-01

The efficiency of several algorithms used for numerical integration of stiff ordinary differential equations was compared. The methods examined included two general purpose codes EPISODE and LSODE and three codes (CHEMEQ, CREK1D and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes were applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code available for the integration of combustion kinetic rate equations. It is shown that an iterative solution of the algebraic energy conservation equation to compute the temperature can be more efficient then evaluating the temperature by integrating its time-derivative.

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

NASA Astrophysics Data System (ADS)

Wang, Lijin

2016-06-01

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.

19. Kinetic equation for strongly interacting dense Fermi systems

NASA Astrophysics Data System (ADS)

Lipavský, P.; Morawetz, K.; Špička, V.

We review the non-relativistic Green's-function approach to the kinetic equations for Fermi liquids far from equilibrium. The emphasis is on the consistent treatment of the off-shell motion between collisions and on the non-instant and non-local picture of binary collisions.The resulting kinetic equation is of the Boltzmann type, and it represents an interpolation between the theory of transport in metals and the theory of moderately dense gases. The free motion of particles is renormalised by various mean field and mass corrections in the spirit of Landau's quasiparticles in metals. The collisions are non-local in the spirit of Enskog's theory of non-ideal gases. The collisions are moreover non-instant, a feature which is absent in the theory of gases, but which is shown to be important for dense Fermi systems.In spite of its formal complexity, the presented theory has a simple implementation within the Monte-Carlo simulation schemes. Applications in nuclear physics are given for heavy-ion reactions and the results are compared with the former theory and recent experimental data.The effect of the off-shell motion and the non-local and non-instant collisions on the dynamics of the system can be characterised in terms of thermodynamic functions such as the energy density or the pressure tensor. Non-equilibrium counterparts of these functions and the corresponding balance equations are derived and discussed from two points of view. Firstly, they are used to prove the conservation laws. Secondly, the role of individual microscopic mechanisms in fluxes of particles and momenta and in transformations of the energy is clarified. Nous examinons la technique des fonctions de Green non relativistes appliquée aux équations cinétiques pour les liquides de Fermi hors équilibre. L'accent est mis sur le traitement cohérent des effets hors couche entre les collisions ainsi que sur l'aspect non-local et non-instantané des collisions binaires.L'équation cinétique r

20. Parameter Estimates in Differential Equation Models for Chemical Kinetics

ERIC Educational Resources Information Center

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…

1. Formulation and closure of compressible turbulence equations in the light of kinetic theory

NASA Technical Reports Server (NTRS)

Tsuge, S.; Sagara, K.

1976-01-01

Fluid-dynamic moment equations, based on a kinetic hierarchy system, are derived governing the interaction between turbulent and thermal fluctuations. The kinetic theory is shown to reduce the inherent complexity of the conventional formalism of compressible turbulence theory and to minimize arbitrariness in formulating the closure condition.

2. Entropy Analysis of Kinetic Flux Vector Splitting Schemes for the Compressible Euler Equations

NASA Technical Reports Server (NTRS)

Shiuhong, Lui; Xu, Jun

1999-01-01

Flux Vector Splitting (FVS) scheme is one group of approximate Riemann solvers for the compressible Euler equations. In this paper, the discretized entropy condition of the Kinetic Flux Vector Splitting (KFVS) scheme based on the gas-kinetic theory is proved. The proof of the entropy condition involves the entropy definition difference between the distinguishable and indistinguishable particles.

3. Kinetic Equation for Two-Particle Distribution Function in Boltzmann Gas Mixtures and Equation of Motion for Quasiparticle Pairs

NASA Astrophysics Data System (ADS)

Saveliev, V. L.

2011-05-01

Pair collisions is the main interaction process in the Boltzmann gas dynamics. By making use of exactly the same physical assumptions as was used by Ludwig Boltzmann we write the kinetic equation for two-particle distribution function of molecules in the gas mixtures. Instead of the collision integral, there are the linear scattering operator and the chaos projector in the right part of this equation. Because the scattering operator is more simple then Boltzmann collision integral this equation opens new opportunities for mathematical description of the Boltzmann gas dynamics.

4. Integrating chemical kinetic rate equations by selective use of stiff and nonstiff methods

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1985-01-01

The effect of switching between nonstiff and stiff methods on the efficiency of algorithms for integrating chemical kinetic rate equations is presented. Different integration methods are tested by application of the packaged code LSODE to four practical combustion kinetics problems. The problems describe adiabatic, homogeneous gas-phase combustion reactions. It is shown that selective use of nonstiff and stiff methods in different regimes of a typical batch combustion problem is faster than the use of either method for the entire problem. The implications of this result to the development of fast integration techniques for combustion kinetic rate equations are discussed.

5. Integrating chemical kinetic rate equations by selective use of stiff and nonstiff methods

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1985-01-01

The effect of switching between nonstiff and stiff methods on the efficiency of algorithms for integrating chemical kinetic rate equations was examined. Different integration methods were tested by application of the packaged code LSODE to four practical combustion kinetics problems. The problems describe adiabatic, and homogeneous gas phase combustion reactions. It is shown that selective use of nonstiff and stiff methods in different regimes of a typical batch combustion problem is faster than the use of either method for the entire problem. The implications which result in the development of fast integration techniques for combustion kinetic rate equations are discussed.

6. Nonlinear Drift-Kinetic Equation in the Presence of a Circularly Polarized Wave

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Krivorutsky, E. N.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Equations of the single particle motion and nonlinear kinetic equation for plasma in the presence of a circularly polarized wave of arbitrary frequency in the drift approximation are presented. The nonstationarity and inhomogeneity of the plasma-wave system are taken into account.

7. Nonlinear Drift-Kinetic Equation in the Presence of a Circularly Polarized Wave

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Krivorutsky, E. N.; Six, N. Frank (Technical Monitor)

2002-01-01

Equations of the single particle motion and nonlinear kinetic equation for plasma in the presence of a circularly polarized wave of arbitrary frequency in the drift approximation are presented. The nonstationarity and inhomogeneity of the plasma-wave system are taken into account. The time dependent part of the ponderomotive force is discussed.

8. A comparison of the efficiency of numerical methods for integrating chemical kinetic rate equations

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1984-01-01

A comparison of the efficiency of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations is presented. The methods examined include two general-purpose codes EPISODE and LSODE and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an iterative solution of the algebraic energy conservation equation to compute the temperature can be more efficient than evaluating the temperature by integrating its time-derivative.

9. Mapping of the classical kinetic balance equations onto the Pauli equation

NASA Astrophysics Data System (ADS)

Pesci, Adriana I.; Goldstein, Raymond E.; Uys, Hermann

2005-01-01

Here we find a mapping onto the Pauli equation of the first two balance equations derived from the classical Boltzmann equation. The essence of this mapping, which we previously used to obtain the particular case of the Sturm-Liouville operator known as Schrödinger's equation, consists of applying a Fourier transform to the momentum coordinate of the distribution function. This procedure introduces a natural parameter η with units of angular momentum. The main difference between the two cases is the conditions imposed on the probability distribution function, a difference most clearly understood at the level of the hydrodynamic equations generated in the first steps of the mapping. The case leading to the Sturm-Liouville operator corresponds to an irrotational flow, while here the ansatz leading to the Pauli equation corresponds to a fluid with non-zero vorticity. In the context of fluid dynamics, the magnitude of the angular momentum associated with the vorticity is η/2. To perform the mapping we follow the standard technique common in hydrodynamic problems, namely writing the Lagrangian for the Euler equations with the corresponding constraints expressed in terms of the Clebsch variables.

10. New integration techniques for chemical kinetic rate equations. II - Accuracy comparison

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1986-01-01

A comparison of the accuracy of several techniques recently developed for solving stiff differential equations is presented. The techniques examined include two general purpose codes EEPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREKID, and GCKP84 developed specifically to solve chemical kinetic rate equations. The accuracy comparisons are made by applying these solution procedures to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas phase chemical reactions at constant pressure, and include all three combustion regimes: induction heat release, and equilibration. The comparisons show that LSODE is the most efficient code - in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for the temperature can be more accurate and efficient than computing the temperature by integrating its time derivative.

11. New integration techniques for chemical kinetic rate equations. 2: Accuracy comparison

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1985-01-01

A comparison of the accuracy of several techniques recently developed for solving stiff differential equations is presented. The techniques examined include two general purpose codes EEPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREKID, and GCKP84 developed specifically to solve chemical kinetic rate equations. The accuracy comparisons are made by applying these solution procedures to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas phase chemical reactions at constant pressure, and include all three combustion regimes: induction, heat release, and equilibration. The comparisons show that LSODE is the most efficient code - in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for the temperature can be more accurate and efficient than computing the temperature by integrating its time derivative.

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

NASA Astrophysics Data System (ADS)

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. Kinetic equations for a density matrix describing nonlinear effects in spectral line wings

SciTech Connect

Parkhomenko, A. I. Shalagin, A. M.

2011-11-15

Kinetic quantum equations are derived for a density matrix with collision integrals describing nonlinear effects in spectra line wings. These equations take into account the earlier established inequality of the spectral densities of Einstein coefficients for absorption and stimulated radiation emission by a two-level quantum system in the far wing of a spectral line in the case of frequent collisions. The relationship of the absorption and stimulated emission probabilities with the characteristics of radiation and an elementary scattering event is found.

14. Analytical solution of the kinetic equation for a uniform plasma in a magnetic field

SciTech Connect

Ji, Jeong-Young; Held, Eric D.

2010-07-15

The kinetic equation for a single-component uniform plasma in a magnetic field is analytically solved by the moment method. The linear system of ordinary differential equations for the moments is decomposed into subsystems of lower dimensions by a geometric method. The eigensystem of each subsystem shows that parallel moments decay monotonically, but perpendicular lth harmonic moments decay while oscillating with the l,l-2,...,-th harmonics of gyrofrequency. A generalization to a multicomponent plasma is discussed.

15. Second-order accurate kinetic schemes for the ultra-relativistic Euler equations

NASA Astrophysics Data System (ADS)

Kunik, Matthias; Qamar, Shamsul; Warnecke, Gerald

2003-12-01

A second-order accurate kinetic scheme for the numerical solution of the relativistic Euler equations is presented. These equations describe the flow of a perfect fluid in terms of the particle density n, the spatial part of the four-velocity u and the pressure p. The kinetic scheme, is based on the well-known fact that the relativistic Euler equations are the moments of the relativistic Boltzmann equation of the kinetic theory of gases when the distribution function is a relativistic Maxwellian. The kinetic scheme consists of two phases, the convection phase (free-flight) and collision phase. The velocity distribution function at the end of the free-flight is the solution of the collisionless transport equation. The collision phase instantaneously relaxes the distribution to the local Maxwellian distribution. The fluid dynamic variables of density, velocity, and internal energy are obtained as moments of the velocity distribution function at the end of the free-flight phase. The scheme presented here is an explicit method and unconditionally stable. The conservation laws of mass, momentum and energy as well as the entropy inequality are everywhere exactly satisfied by the solution of the kinetic scheme. The scheme also satisfies positivity and L1-stability. The scheme can be easily made into a total variation diminishing method for the distribution function through a suitable choice of the interpolation strategy. In the numerical case studies the results obtained from the first- and second-order kinetic schemes are compared with the first- and second-order upwind and central schemes. We also calculate the experimental order of convergence and numerical L1-stability of the scheme for smooth initial data.

16. Fundamental equations of a mixture of gas and small spherical solid particles from simple kinetic theory.

NASA Technical Reports Server (NTRS)

Pai, S. I.

1973-01-01

The fundamental equations of a mixture of a gas and pseudofluid of small spherical solid particles are derived from the Boltzmann equation of two-fluid theory. The distribution function of the gas molecules is defined in the same manner as in the ordinary kinetic theory of gases, but the distribution function for the solid particles is different from that of the gas molecules, because it is necessary to take into account the different size and physical properties of solid particles. In the proposed simple kinetic theory, two additional parameters are introduced: one is the radius of the spheres and the other is the instantaneous temperature of the solid particles in the distribution of the solid particles. The Boltzmann equation for each species of the mixture is formally written, and the transfer equations of these Boltzmann equations are derived and compared to the well-known fundamental equations of the mixture of a gas and small solid particles from continuum theory. The equations obtained reveal some insight into various terms in the fundamental equations. For instance, the partial pressure of the pseudofluid of solid particles is not negligible if the volume fraction of solid particles is not negligible as in the case of lunar ash flow.

17. Numerical methods for solving moment equations in kinetic theory of neuronal network dynamics

NASA Astrophysics Data System (ADS)

Rangan, Aaditya V.; Cai, David; Tao, Louis

2007-02-01

Recently developed kinetic theory and related closures for neuronal network dynamics have been demonstrated to be a powerful theoretical framework for investigating coarse-grained dynamical properties of neuronal networks. The moment equations arising from the kinetic theory are a system of (1 + 1)-dimensional nonlinear partial differential equations (PDE) on a bounded domain with nonlinear boundary conditions. The PDEs themselves are self-consistently specified by parameters which are functions of the boundary values of the solution. The moment equations can be stiff in space and time. Numerical methods are presented here for efficiently and accurately solving these moment equations. The essential ingredients in our numerical methods include: (i) the system is discretized in time with an implicit Euler method within a spectral deferred correction framework, therefore, the PDEs of the kinetic theory are reduced to a sequence, in time, of boundary value problems (BVPs) with nonlinear boundary conditions; (ii) a set of auxiliary parameters is introduced to recast the original BVP with nonlinear boundary conditions as BVPs with linear boundary conditions - with additional algebraic constraints on the auxiliary parameters; (iii) a careful combination of two Newton's iterates for the nonlinear BVP with linear boundary condition, interlaced with a Newton's iterate for solving the associated algebraic constraints is constructed to achieve quadratic convergence for obtaining the solutions with self-consistent parameters. It is shown that a simple fixed-point iteration can only achieve a linear convergence for the self-consistent parameters. The practicability and efficiency of our numerical methods for solving the moment equations of the kinetic theory are illustrated with numerical examples. It is further demonstrated that the moment equations derived from the kinetic theory of neuronal network dynamics can very well capture the coarse-grained dynamical properties of

18. New integration techniques for chemical kinetic rate equations. I - Efficiency comparison

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1986-01-01

A comparison of the efficiency of several recently developed numerical techniques for solving chemical kinetic rate equations is presented. The solution procedures examined include two general-purpose codes, EPISODE and LSODE, developed as multipurpose differential equation solvers, and three specialzed codes, CHEMEQ, CREK1D, and GCKP84, developed specifically for chemical kinetics. The efficiency comparison is made by applying these codes to two practical combustion kinetics problems. Both problems describe adiabatic, constant-pressure, gas-phase chemical reactions and include all three combustion regimes: induction, heat release, and equilibration. The comparison shows that LSODE is the fastest routine currently available for solving chemical kinetic rate equations. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for temperature can be significantly faster than evaluation of the temperature by integration of its time derivative. Significant increases in computational speed are realized by updating the reaction rate constants only when the temperature change exceeds an amount Delta-T that is problem dependent. An approximate expression for the automatic evaluation of Delta-T is presented and is shown to result in increased computational speed.

19. The Master kinetic equation for the statistical treatment of the Boltzmann-Sinai classical dynamical system

NASA Astrophysics Data System (ADS)

Tessarotto, Massimo; Cremaschini, Claudio

2014-07-01

In this investigation, exact particular realizations are sought for the microscopic statistical description which is associated with the classical dynamical system (CDS) formed by N identical smooth hard spheres subject to elastic collisions ( S N -CDS). The problem is posed in the framework of the ab initio statistical description of S N -CDS recently developed. It is shown that the Liouville equation associated with SN-CDS admits an exact particular solution for the N-body probability density function (PDF). This is factorized in terms of the i-th particle 1-body PDF (for all i = 1, N) via suitable weighting factors, which are denoted here as particle occupation coefficients. The latter are found to depend functionally only on the 1-body PDFs which are associated with each of the remaining particles belonging to S N -CDS. Furthermore, the 1-body PDF is proved to obey a well-defined statistical equation, referred to here as Master kinetic equation. This is an exact kinetic equation which takes into account the occurrence of configuration-space correlations due to the finite size of the extended particles, while depending functionally on the same 1-body PDF only. The asymptotic approximation of the Master equation, which holds in validity of the Boltzmann-Grad limit, is shown to recover in a suitable asymptotic sense the customary Boltzmann equation. Finally, a critical analysis is presented of the original and modified versions of the Enskog kinetic equation, as well as of some of the non-linear kinetic approaches formulated in the past for dense granular gases. Their conditions of validity and main differences with respect to the present theory are pointed out.

20. Geodesic acoustic mode in anisotropic plasmas using double adiabatic model and gyro-kinetic equation

SciTech Connect

Ren, Haijun; Cao, Jintao

2014-12-15

Geodesic acoustic mode in anisotropic tokamak plasmas is theoretically analyzed by using double adiabatic model and gyro-kinetic equation. The bi-Maxwellian distribution function for guiding-center ions is assumed to obtain a self-consistent form, yielding pressures satisfying the magnetohydrodynamic (MHD) anisotropic equilibrium condition. The double adiabatic model gives the dispersion relation of geodesic acoustic mode (GAM), which agrees well with the one derived from gyro-kinetic equation. The GAM frequency increases with the ratio of pressures, p{sub ⊥}/p{sub ∥}, and the Landau damping rate is dramatically decreased by p{sub ⊥}/p{sub ∥}. MHD result shows a low-frequency zonal flow existing for all p{sub ⊥}/p{sub ∥}, while according to the kinetic dispersion relation, no low-frequency branch exists for p{sub ⊥}/p{sub ∥}≳ 2.

1. General theory of multistage geminate reactions of isolated pairs of reactants. I. Kinetic equations

SciTech Connect

Doktorov, Alexander B.; Kipriyanov, Alexey A.

2014-05-14

General matrix approach to the consideration of multistage geminate reactions of isolated pairs of reactants depending on reactant mobility is formulated on the basis of the concept of “effective” particles. Various elementary reactions (stages of multistage reaction including physicochemical processes of internal quantum state changes) proceeding with the participation of isolated pairs of reactants (or isolated reactants) are taken into account. Investigation has been made in terms of kinetic approach implying the derivation of general (matrix) kinetic equations for local and mean probabilities of finding any of the reaction species in the sample under study (or for local and mean concentrations). The recipes for the calculation of kinetic coefficients of the equations for mean quantities in terms of relative coordinates of reactants have been formulated in the general case of inhomogeneous reacting systems. Important specific case of homogeneous reacting systems is considered.

2. Mapping of the relativistic kinetic balance equations onto the Klein Gordon and second-order Dirac equations

NASA Astrophysics Data System (ADS)

Pesci, Adriana I.; Goldstein, Raymond E.; Uys, Hermann

2005-05-01

In previous work we have shown that the quantum potential can be derived from the classical kinetic equations both for particles with and without spin. Here, we extend these mappings to the relativistic case. The essence of the analysis consists of Fourier transforming the momentum coordinate of the distribution function. This procedure introduces a natural parameter η with units of angular momentum. In the non-relativistic case the ansatz of either separability, or separability and additivity, imposed on the probability distribution function produces mappings onto the Schrödinger equation and the Pauli equation, respectively. The former corresponds to an irrotational flow, the latter to a fluid with non-zero vorticity. In this work we show that the relativistic mappings lead to the Klein-Gordon equation in the irrotational case and to the second-order Dirac equation in the rotational case. These mappings are irreversible; an approximate inverse is the Wigner function. Taken together, these results provide a statistical interpretation of quantum mechanics.

3. Functional integral derivation of the kinetic equation of two-dimensional point vortices

NASA Astrophysics Data System (ADS)

Fouvry, Jean-Baptiste; Chavanis, Pierre-Henri; Pichon, Christophe

2016-08-01

We present a brief derivation of the kinetic equation describing the secular evolution of point vortices in two-dimensional hydrodynamics, by relying on a functional integral formalism. We start from Liouville's equation which describes the exact dynamics of a two-dimensional system of point vortices. At the order 1 / N, the evolution of the system is characterised by the first two equations of the BBGKY hierarchy involving the system's 1-body distribution function and its 2-body correlation function. Thanks to the introduction of auxiliary fields, these two evolution constraints may be rewritten as a functional integral. When functionally integrated over the 2-body correlation function, this rewriting leads to a new constraint coupling the 1-body distribution function and the two auxiliary fields. Once inverted, this constraint provides, through a new route, the closed non-linear kinetic equation satisfied by the 1-body distribution function. Such a method sheds new lights on the origin of these kinetic equations complementing the traditional derivation methods.

4. Kinetic effects on Alfven wave nonlinearity. II - The modified nonlinear wave equation

NASA Technical Reports Server (NTRS)

Spangler, Steven R.

1990-01-01

A previously developed Vlasov theory is used here to study the role of resonant particle and other kinetic effects on Alfven wave nonlinearity. A hybrid fluid-Vlasov equation approach is used to obtain a modified version of the derivative nonlinear Schroedinger equation. The differences between a scalar model for the plasma pressure and a tensor model are discussed. The susceptibilty of the modified nonlinear wave equation to modulational instability is studied. The modulational instability normally associated with the derivative nonlinear Schroedinger equation will, under most circumstances, be restricted to left circularly polarized waves. The nonlocal term in the modified nonlinear wave equation engenders a new modulational instability that is independent of beta and the sense of circular polarization. This new instability may explain the occurrence of wave packet steepening for all values of the plasma beta in the vicinity of the earth's bow shock.

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

PubMed Central

2010-01-01

Background 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. Methods 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. Results 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. Conclusion 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. PMID:21029411

6. Kinetic analysis of thermally relativistic flow with dissipation. II. Relativistic Boltzmann equation versus its kinetic models

NASA Astrophysics Data System (ADS)

Yano, Ryosuke; Matsumoto, Jun; Suzuki, Kojiro

2011-06-01

Thermally relativistic flow with dissipation was analyzed by solving the rarefied supersonic flow of thermally relativistic matter around a triangle prism by Yano and Suzuki [Phys. Rev. DPRVDAQ1550-7998 83, 023517 (2011)10.1103/PhysRevD.83.023517], where the Anderson-Witting (AW) model was used as a solver. In this paper, we solve the same problem, which was analyzed by Yano and Suzuki, using the relativistic Boltzmann equation (RBE). To solve the RBE, the conventional direct simulation Monte Carlo method for the nonrelativistic Boltzmann equation is extended to a new direct simulation Monte Carlo method for the RBE. Additionally, we solve the modified Marle (MM) model proposed by Yano-Suzuki-Kuroda for comparisons. The solution of the thermally relativistic shock layer around the triangle prism obtained using the relativistic Boltzmann equation is considered by focusing on profiles of macroscopic quantities, such as the density, velocity, temperature, heat flux and dynamic pressure along the stagnation streamline (SSL). Differences among profiles of the number density, velocity and temperature along the SSL obtained using the RBE, the AW and MM. models are described in the framework of the relativistic Navier-Stokes-Fourier law. Finally, distribution functions on the SSL obtained using the RBE are compared with those obtained using the AW and MM models. The distribution function inside the shock wave obtained using the RBE does not indicate a bimodal form, which is obtained using the AW and MM models, but a smooth deceleration of thermally relativistic matter inside a shock wave.

7. Towards an ultra efficient kinetic scheme. Part I: Basics on the BGK equation

NASA Astrophysics Data System (ADS)

Dimarco, Giacomo; Loubere, Raphaël

2013-12-01

In this paper we present a new ultra efficient numerical method for solving kinetic equations. In this preliminary work, we present the scheme in the case of the BGK relaxation operator. The scheme, being based on a splitting technique between transport and collision, can be easily extended to other collisional operators as the Boltzmann collision integral or to other kinetic equations such as the Vlasov equation. The key idea, on which the method relies, is to solve the collision part on a grid and then to solve exactly the transport linear part by following the characteristics backward in time. The main difference between the method proposed and semi-Lagrangian methods is that here we do not need to reconstruct the distribution function at each time step. This allows to tremendously reduce the computational cost of the method and it permits for the first time, to the author's knowledge, to compute solutions of full six dimensional kinetic equations on a single processor laptop machine. Numerical examples, up to the full three dimensional case, are presented which validate the method and assess its efficiency in 1D, 2D and 3D.

8. A gas-kinetic BGK scheme for the compressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Xu, Kun

2000-01-01

This paper presents an improved gas-kinetic scheme based on the Bhatnagar-Gross-Krook (BGK) model for the compressible Navier-Stokes equations. The current method extends the previous gas-kinetic Navier-Stokes solver developed by Xu and Prendergast by implementing a general nonequilibrium state to represent the gas distribution function at the beginning of each time step. As a result, the requirement in the previous scheme, such as the particle collision time being less than the time step for the validity of the BGK Navier-Stokes solution, is removed. Therefore, the applicable regime of the current method is much enlarged and the Navier-Stokes solution can be obtained accurately regardless of the ratio between the collision time and the time step. The gas-kinetic Navier-Stokes solver developed by Chou and Baganoff is the limiting case of the current method, and it is valid only under such a limiting condition. Also, in this paper, the appropriate implementation of boundary condition for the kinetic scheme, different kinetic limiting cases, and the Prandtl number fix are presented. The connection among artificial dissipative central schemes, Godunov-type schemes, and the gas-kinetic BGK method is discussed. Many numerical tests are included to validate the current method.

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

NASA Technical Reports Server (NTRS)

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 then discussed.

10. New forms of two-particle and one-particle kinetic equations

NASA Astrophysics Data System (ADS)

Saveliev, V. L.; Yonemura, S.

2012-11-01

Pair collisions are the main interaction process in the Boltzmann gas dynamics. By making use of exactly the same physical assumptions as was done by Ludwig Boltzmann we wrote the kinetic equation for two-particle distribution function of molecules in gas mixtures. Instead of the collision integral, there are the linear scattering operator and the chaos projector in the right part of this equation. We developed a new technique for factorization of the scattering operator on the bases of right inverses to the Casimir operator of the group of rotations. We exactly transformed the Boltzmann collision integral to the Landau-Fokker-Planck like form.

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

NASA Astrophysics Data System (ADS)

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.

12. An asymptotic-preserving scheme for linear kinetic equation with fractional diffusion limit

NASA Astrophysics Data System (ADS)

Wang, Li; Yan, Bokai

2016-05-01

We present a new asymptotic-preserving scheme for the linear Boltzmann equation which, under appropriate scaling, leads to a fractional diffusion limit. Our scheme rests on novel micro-macro decomposition to the distribution function, which splits the original kinetic equation following a reshuffled Hilbert expansion. As opposed to classical diffusion limit, a major difficulty comes from the fat tail in the equilibrium which makes the truncation in velocity space depending on the small parameter. Our idea is, while solving the macro-micro part in a truncated velocity domain (truncation only depends on numerical accuracy), to incorporate an integrated tail over the velocity space that is beyond the truncation, and its major component can be precomputed once with any accuracy. Such an addition is essential to drive the solution to the correct asymptotic limit. Numerical experiments validate its efficiency in both kinetic and fractional diffusive regimes.

13. Analysis of atmospheric flow over a surface protrusion using the turbulence kinetic energy equation

NASA Technical Reports Server (NTRS)

Frost, W.; Harper, W. L.; Fichtl, G. H.

1975-01-01

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. Mean-flow results are compared with those given in a previous paper where the same problem was attacked using a Prandtl mixing-length hypothesis. Iso-lines of turbulence kinetic energy and turbulence intensity are plotted in the plane of the flow. They highlight regions of high turbulence intensity in the stagnation zone and sharp gradients in intensity along the transition from adverse to favourable pressure gradient.

14. A Steady-State Approximation to the Two-Dimensional Master Equation for Chemical Kinetics Calculations.

PubMed

Nguyen, Thanh Lam; Stanton, John F

2015-07-16

In the field of chemical kinetics, the solution of a two-dimensional master equation that depends explicitly on both total internal energy (E) and total angular momentum (J) is a challenging problem. In this work, a weak-E/fixed-J collisional model (i.e., weak-collisional internal energy relaxation/free-collisional angular momentum relaxation) is used along with the steady-state approach to solve the resulting (simplified) two-dimensional (E,J)-grained master equation. The corresponding solutions give thermal rate constants and product branching ratios as functions of both temperature and pressure. We also have developed a program that can be used to predict and analyze experimental chemical kinetics results. This expedient technique, when combined with highly accurate potential energy surfaces, is cable of providing results that may be meaningfully compared to experiments. The reaction of singlet oxygen with methane proceeding through vibrationally excited methanol is used as an illustrative example. PMID:25815602

15. A critical analysis of the accuracy of several numerical techniques for combustion kinetic rate equations

NASA Technical Reports Server (NTRS)

Radhadrishnan, Krishnan

1993-01-01

A detailed analysis of the accuracy of several techniques recently developed for integrating stiff ordinary differential equations is presented. The techniques include two general-purpose codes EPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREK1D, and GCKP4 developed specifically to solve chemical kinetic rate equations. The accuracy study is made by application of these codes to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas-phase chemical reactions at constant pressure, and include all three combustion regimes: induction, heat release, and equilibration. To illustrate the error variation in the different combustion regimes the species are divided into three types (reactants, intermediates, and products), and error versus time plots are presented for each species type and the temperature. These plots show that CHEMEQ is the most accurate code during induction and early heat release. During late heat release and equilibration, however, the other codes are more accurate. A single global quantity, a mean integrated root-mean-square error, that measures the average error incurred in solving the complete problem is used to compare the accuracy of the codes. Among the codes examined, LSODE is the most accurate for solving chemical kinetics problems. It is also the most efficient code, in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that use of the algebraic enthalpy conservation equation to compute the temperature can be more accurate and efficient than integrating the temperature differential equation.

16. Kinetic equations for hopping transport and spin relaxation in a random magnetic field

NASA Astrophysics Data System (ADS)

Shumilin, A. V.; Kabanov, V. V.

2015-07-01

We derive the kinetic equations for a hopping transport that take into account an electron spin and the possibility of double occupation. In the Ohmic regime, the equations are reduced to the generalized Miller-Abrahams resistor network. We apply these equations to the problem of the magnetic moment relaxation due to the interaction with the random hyperfine fields. It is shown that in a wide range of parameters the relaxation rate is governed by the hops with the similar rates as spin precession frequency. It is demonstrated that at the large time scale spin relaxation is nonexponential. We argue that the nonexponential relaxation of the magnetic moment is related to the spin of electrons in the slow-relaxing traps. Interestingly, the traps can significantly influence the spin relaxation in the infinite conducting cluster at large times.

17. A coarse-grained kinetic equation for neutral particles in turbulent fusion plasmas

SciTech Connect

Mekkaoui, A.; Marandet, Y.; Genesio, P.; Rosato, J.; Stamm, R.; Capes, H.; Koubiti, M.; Godbert-Mouret, L.; Catoire, F.

2012-06-15

A coarse-grained kinetic equation for neutral particles (atoms, molecules) in magnetized fusion plasmas, valid on time scales large compared to the turbulence correlation time, is presented. This equation includes the effects of plasma density fluctuations, described by gamma statistics, on the transport of neutral particles. These effects have so far been neglected in plasma edge modeling, in spite of the fact that the amplitude of fluctuations can be of order unity. Density fluctuations are shown to have a marked effect on the screening of neutrals and on the spatial localization of the ionization source, in particular at high density. The coarse-grained equations obtained in this work are readily implemented in edge code suites currently used for fusion plasma analysis and future divertor design (ITER, DEMO).

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

SciTech Connect

Kolobov, Vladimir; Arslanbekov, Robert; Frolova, Anna

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.

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

NASA Astrophysics Data System (ADS)

Kolobov, Vladimir; Arslanbekov, Robert; Frolova, Anna

2014-12-01

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.

20. Kinetic Thomas-Fermi solutions of the Gross-Pitaevskii equation

NASA Astrophysics Data System (ADS)

Ölschläger, M.; Wirth, G.; Smith, C. Morais; Hemmerich, A.

2009-04-01

Approximate solutions of the Gross-Pitaevskii (GP) equation, obtained upon neglection of the kinetic energy, are well known as Thomas-Fermi solutions. They are characterized by the compensation of the local potential by the collisional energy. In this article we consider exact solutions of the GP-equation with this property and definite values of the kinetic energy, which suggests the term "kinetic Thomas-Fermi" (KTF) solutions. Despite their formal simplicity, KTF-solutions can possess complex current density fields with unconventional topology. We point out that a large class of light-shift potentials gives rise to KTF-solutions. As elementary examples, we consider one-dimensional and two-dimensional optical lattice scenarios, obtained by means of the superposition of two, three and four laser beams, and discuss the stability properties of the corresponding KTF-solutions. A general method is proposed to excite two-dimensional KTF-solutions in experiments by means of time-modulated light-shift potentials.

1. Convective kinetic energy equation under the mass-flux subgrid-scale parameterization

NASA Astrophysics Data System (ADS)

Yano, Jun-Ichi

2015-03-01

The present paper originally derives the convective kinetic energy equation under mass-flux subgrid-scale parameterization in a formal manner based on the segmentally-constant approximation (SCA). Though this equation is long since presented by Arakawa and Schubert (1974), a formal derivation is not known in the literature. The derivation of this formulation is of increasing interests in recent years due to the fact that it can explain basic aspects of the convective dynamics such as discharge-recharge and transition from shallow to deep convection. The derivation is presented in two manners: (i) for the case that only the vertical component of the velocity is considered and (ii) the case that both the horizontal and vertical components are considered. The equation reduces to the same form as originally presented by Arakwa and Schubert in both cases, but with the energy dissipation term defined differently. In both cases, nevertheless, the energy "dissipation" (loss) term consists of the three principal contributions: (i) entrainment-detrainment, (ii) outflow from top of convection, and (iii) pressure effects. Additionally, inflow from the bottom of convection contributing to a growth of convection is also formally counted as a part of the dissipation term. The eddy dissipation is also included for a completeness. The order-of-magnitude analysis shows that the convective kinetic energy "dissipation" is dominated by the pressure effects, and it may be approximately described by Rayleigh damping with a constant time scale of the order of 102-103 s. The conclusion is also supported by a supplementary analysis of a cloud-resolving model (CRM) simulation. The Appendix discusses how the loss term ("dissipation") of the convective kinetic energy is qualitatively different from the conventional eddy-dissipation process found in turbulent flows.

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

SciTech Connect

Sun, Wenjun; Jiang, Song; Xu, Kun

2015-03-15

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.

3. Application of convergence acceleration to the reactor kinetic equations: A comparative study

SciTech Connect

Picca, P.; Furfaro, R.; Ganapol, B. D.

2013-07-01

This presentation provides a comparison of two methodologies for the solution of reactor kinetic equations, namely for a standard finite difference and a semi-analytical approach. The above-mentioned methods are implemented in a convergence acceleration framework to enhance their efficiency and a comparative study is reported to verify whether it is more convenient to use a rudimentary but fast algorithm (finite difference) with respect to the more refined but computationally intense approach of the semi-analytical method. Performance on several test cases from the literature are compared. (authors)

4. From Lévy flights to the fractional kinetic equation for dynamical chaos

NASA Astrophysics Data System (ADS)

Zaslavsky, G. M.

Chaotic dynamics of Hamiltonian systems can be described by the random process which resembles the Lévy-type flights and trappings in the phase space of a system. The probability distribution function satisfies the fractional in space and time generalization of the Fokker-Planck-Kolmogorov equation. Orders of the fractional derivatives in space and time can be connected to the Pesin's dimensions of the trajectories. A new look on the problem of Maxwell's Demon is discussed in the context of the anomalous ("strange") kinetics.

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

SciTech Connect

Shtykov, N. M. Palto, S. P.; Umanskii, B. A.

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.

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

PubMed

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. PMID:24229140

7. Berry curvature and four-dimensional monopoles in the relativistic chiral kinetic equation.

PubMed

Chen, Jiunn-Wei; Pu, Shi; Wang, Qun; Wang, Xin-Nian

2013-06-28

We derive a relativistic chiral kinetic equation with manifest Lorentz covariance from Wigner functions of spin-1/2 massless fermions in a constant background electromagnetic field. It contains vorticity terms and a four-dimensional Euclidean Berry monopole which gives an axial anomaly. By integrating out the zeroth component of the 4-momentum p, we reproduce the previous three-dimensional results derived from the Hamiltonian approach, together with the newly derived vorticity terms. The phase space continuity equation has an anomalous source term proportional to the product of electric and magnetic fields (FσρF[over ˜]σρ∼EσBσ). This provides a unified interpretation of the chiral magnetic and vortical effects, chiral anomaly, Berry curvature, and the Berry monopole in the framework of Wigner functions. PMID:23848865

8. On Self-Similar Solutions to a Kinetic Equation Arising in Weak Turbulence Theory for the Nonlinear Schrödinger Equation

NASA Astrophysics Data System (ADS)

Kierkels, A. H. M.; Velázquez, J. J. L.

2016-06-01

We construct a family of self-similar solutions with fat tails to a quadratic kinetic equation. This equation describes the long time behaviour of weak solutions with finite mass to the weak turbulence equation associated to the nonlinear Schrödinger equation. The solutions that we construct have finite mass, but infinite energy. In Kierkels and Velázquez (J Stat Phys 159:668-712, 2015) self-similar solutions with finite mass and energy were constructed. Here we prove upper and lower exponential bounds on the tails of these solutions.

9. On Self-Similar Solutions to a Kinetic Equation Arising in Weak Turbulence Theory for the Nonlinear Schrödinger Equation

NASA Astrophysics Data System (ADS)

Kierkels, A. H. M.; Velázquez, J. J. L.

2016-04-01

We construct a family of self-similar solutions with fat tails to a quadratic kinetic equation. This equation describes the long time behaviour of weak solutions with finite mass to the weak turbulence equation associated to the nonlinear Schrödinger equation. The solutions that we construct have finite mass, but infinite energy. In Kierkels and Velázquez (J Stat Phys 159:668-712, 2015) self-similar solutions with finite mass and energy were constructed. Here we prove upper and lower exponential bounds on the tails of these solutions.

10. Improved Experimental and Computational Methodology for Determining the Kinetic Equation and the Extant Kinetic Constants of Fe(II) Oxidation by Acidithiobacillus ferrooxidans▿

PubMed Central

Molchanov, Sharon; Gendel, Yuri; Ioslvich, Ilya; Lahav, Ori

2007-01-01

The variety of kinetics expressions encountered in the literature and the unreasonably broad range of values reported for the kinetics constants of Acidithiobacillus ferrooxidans underscore the need for a unifying experimental procedure and for the development of a reliable kinetics equation. Following an extensive and critical review of reported experimental techniques, a method based on batch pH-controlled kinetics experiments lasting less than one doubling time was developed for the determination of extant kinetics constants. The Fe(II) concentration in the experiments was measured by a method insensitive to Fe(III) interference. Kinetics parameters were determined by nonlinear fitting of the integrated form of the Monod equation to yield a KS of 31 ± 4 mg Fe2+ liter−1 (mean ± standard deviation), a KP of 139 ± 20 mg Fe3+ liter−1, and a μmax of 0.082 ± 0.002 h−1. The corresponding kinetics equation was as follows: \\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin{equation*}\\frac{dS}{dt}= \\left \\left(-\\frac{0.082}{2.3{\\cdot}10^{7}}\\right) \\right \\frac{S{\\cdot}X}{31(1+\\displaystyle\\frac{P_{0}+S_{0}-S}{139})+S}\\end{equation*}\\end{document} where S represents the Fe(II) concentration in mg liter−1, P0 represents the initial Fe(III) concentration in mg liter−1, X represents the suspended bacterial cell concentration in cells ml−1, and t represents time in hours. The measured data fit this equation exceptionally well, with an R2 of >0.99. Fe(III) inhibition was found to be of a competitive nature. Contrary to previous reports, the results show that the concentration of Acidithiobacillus ferrooxidans cells has no affect on the kinetics constants. The kinetics equation can be considered applicable only to A. ferrooxidans cells grown under

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

SciTech Connect

Ganapol, B.; Picca, P.; Previti, A.; Mostacci, D.

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)

12. Kinetic flux-vector splitting for the Navier-Stokes equations

SciTech Connect

Chou, S.Y.; Baganoff, D.

1997-01-15

Before a hybrid scheme can be developed combining the direct simulation Monte Carlo (DSMC) method and a Navier-Stokes (NS) representation, one must have access to compatible kinetic-split fluxes from the NS portion of the hybrid scheme. The kinetic theory basis is given for the development of the required fluxes from the Chapman-Enskog velocity distribution function for a simple gas; and these are then extended to a polyatomic gas by use of the Eucken approximation. The derived fluxes are then used to implement boundary conditions at solid surfaces that are based on concepts associated with kinetic theory and the DSMC method. This approach is shown to lead to temperature slip and velocity slip as a natural outcome of the new formulation, a requirement for use in the near-continuum regime where DSMC and NS must be joined. Several different flows, for which solid boundaries are not present, are computed using the derived fluxes, together with a second-order finite-volume scheme, and the results are shown to agree well with several established numerical schemes for the NS equations. 22 refs., 12 figs.

13. Analysis of the methods for the derivation of binary kinetic equations in the theory of fluorescence concentration quenching

SciTech Connect

Doktorov, A. B.

2014-09-14

In the framework of unified many-particle approach the familiar problem of fluorescence concentration quenching in the presence of pumping (light pulse) of arbitrary intensity is considered. This process is a vivid and the simplest example of multistage bulk reaction including bimolecular irreversible quenching reaction and reversible monomolecular transformation as elementary stages. General relation between the kinetics of multistage bulk reaction and that of the elementary stage of quenching has been established. This allows one to derive general kinetic equations (of two types) for the multistage reaction in question on the basis of general kinetic equations (differential and integro-differential) of elementary stage of quenching. Relying on the same unified many-particle approach we have developed binary approximations with the use of two (frequently employed in the literature) many-particle methods (such as simple superposition approximation and the method of extracting pair channels in three-particle correlation evolution) to the derivation of non-Markovian binary kinetic equations. The possibility of reducing the obtained binary equations to the Markovian equations of formal chemical kinetics has been considered. As an example the exact solution of the problem (for the specific case) is examined, and the applicability of two many particle methods of derivation of binary equations is analyzed.

14. Kinetic boundary layers in gas mixtures: Systems described by nonlinearly coupled kinetic and hydrodynamic equations and applications to droplet condensation and evaporation

SciTech Connect

Widder, M.E.; Titulaer, U.M. )

1993-03-01

The authors consider a mixture of heavy vapor molecules and a light carrier gas surrounding a liquid droplet. The vapor is described by a variant of the Klein-Kramers equation; the gas is described by the Navier-Stokes equations; the droplet acts as a heat source due to the released heat of condensation. The exchange of momentum and energy between the constituents of the mixture is taken into account by force terms in the kinetic equation and source terms in the Navier-Stokes equations. These are chosen to obtain maximal agreement with the irreversible thermodynamics of a gas mixture. The structure of the kinetic boundary layer around the sphere is determined from the self-consistent solution of this set of coupled equations with appropriate boundary conditions at the surface of the sphere. The kinetic equation is rewritten as a set of coupled moment equations. A complete set of solutions of these moment equations is constructed by numerical integration inward from the region far away from the droplet, where the background inhomogeneities are small. A technique developed earlier is used to deal with the numerical instability of the moment equations. The solutions obtained for given temperature and pressure profiles in the gas are then combined linearly such that they obey the boundary conditions at the droplet surface; from this solution source terms for the Navier-Stokes equation of the gas are constructed and used to determine improved temperature and pressure profiles for the background gas. For not too large temperature differneces between the droplet and the gas at infinity, self-consistency is reached after a few iterations. The method is applied to the condensation of droplets from a supersaturated vapor as well as to strong evaporation of droplets under the influence of an external heat source, where corrections of up to 40% are obtained.

15. Coalescence kinetics in surfactant stabilized emulsions: evolution equations from direct numerical simulations.

PubMed

Skartlien, R; Grimes, B; Meakin, P; Sjöblom, J; Sollum, E

2012-12-01

Lattice Boltzmann simulations were used to study the coalescence kinetics in emulsions with amphiphilic surfactant, under neutrally buoyant conditions, and with a significant kinematic viscosity contrast between the phases (emulating water in oil emulsions). The 3D simulation domain was large enough (256(3) ~ 10(7) grid points) to obtain good statistics with droplet numbers ranging from a few thousand at early times to a few hundred near equilibrium. Increased surfactant contents slowed down the coalescence rate between droplets due to the Gibbs-Marangoni effect, and the coalescence was driven by a quasi-turbulent velocity field. The kinetic energy decayed at a relatively slow rate at early times, due to conversion of interfacial energy to kinetic energy in the flow during coalescence. Phenomenological, coupled differential equations for the mean droplet diameter D(t) and the number density n(d)(t) were obtained from the simulation data and from film draining theories. Local (in time) power law exponents for the growth of the mean diameter (and for the concomitant decrease of n(d)) were established in terms of the instantaneous values of the kinetic energy, coalescence probability, Gibbs elasticity, and interfacial area. The model studies indicated that true power laws for the growth of the droplet size and decrease of the number of droplets with time may not be justified, since the exponents derived using the phenomenological model were time dependent. In contrast to earlier simulation results for symmetric blends with surfactant, we found no evidence for stretched logarithmic scaling of the form D ~ [ln (ct)](α) for the morphology length, or exponential scalings associated with arrested growth, on the basis of the phenomenological model. PMID:23231250

16. Coalescence kinetics in surfactant stabilized emulsions: Evolution equations from direct numerical simulations

SciTech Connect

R. Skartlien; E. Sollum; A. Akselsen; P. Meakin; B. Grimes; J. Sjoblom

2012-12-01

Lattice Boltzmann simulations were used to study the coalescence kinetics in emulsions with amphiphilic surfactant, under neutrally buoyant conditions, and with a significant kinematic viscosity contrast between the phases (emulating water in oil emulsions). The 3D simulation domain was large enough (256 3rd power -- 10 7th power grid points) to obtain good statistics with droplet numbers ranging from a few thousand at early times to a few hundred near equilibrium. Increased surfactant contents slowed down the coalescence rate between droplets due to the Gibbs-Marangoni effect, and the coalescence was driven by a quasi-turbulent velocity field. The kinetic energy decayed at a relatively slow rate at early times, due to conversion of interfacial energy to kinetic energy in the flow during coalescence. Phenomenological, coupled differential equations for the mean droplet diameter D(t) and the number density nd(t) were obtained from the simulation data and from film draining theories. Local (in time) power law exponents for the growth of the mean diameter (and for the concomitant decrease of nd) were established in terms of the instantaneous values of the kinetic energy, coalescence probability, Gibbs elasticity, and interfacial area. The model studies indicated that true power laws for the growth of the droplet size and decrease of the number of droplets with time may not be justified, since the exponents derived using the phenomenological model were time dependent. In contrast to earlier simulation results for symmetric blends with surfactant, we found no evidence for stretched logarithmic scaling of the formD -- [ln (ct)]a for the morphology length, or exponential scalings associated with arrested growth, on the basis of the phenomenological model.

17. Elementary solutions of coupled model equations in the kinetic theory of gases

NASA Technical Reports Server (NTRS)

Kriese, J. T.; Siewert, C. E.; Chang, T. S.

1974-01-01

The method of elementary solutions is employed to solve two coupled integrodifferential equations sufficient for determining temperature-density effects in a linearized BGK model in the kinetic theory of gases. Full-range completeness and orthogonality theorems are proved for the developed normal modes and the infinite-medium Green's function is constructed as an illustration of the full-range formalism. The appropriate homogeneous matrix Riemann problem is discussed, and half-range completeness and orthogonality theorems are proved for a certain subset of the normal modes. The required existence and uniqueness theorems relevant to the H matrix, basic to the half-range analysis, are proved, and an accurate and efficient computational method is discussed. The half-space temperature-slip problem is solved analytically, and a highly accurate value of the temperature-slip coefficient is reported.

18. A robust low diffusive kinetic scheme for the Navier-Stokes/Euler equations

SciTech Connect

Moschetta, J.M.; Pullin, D.I.

1997-05-15

A new kinetic scheme based on the equilibrium flux method (EFM) and modified using Osher intermediate states is proposed. This new scheme called EFMO combines the robustness of the equilibrium flux method and the accuracy of flux-difference splitting schemes. The original EFM scheme is expressed in terms of simple wave decomposition in which only the linearly degenerate subpath is calculated from Osher numerical flux while nonlinear waves are still evaluated from the regular EFM splitting. Owing to its capability of withstanding intense nonlinear waves and yet exactly resolving contact discontinuities, EFMO is particularly well suited for the resolution of the Navier-Stokes equations as demonstrated by a series of severe test cases including the high-speed viscous flow around a cone, a shock-boundary layer interaction problem, a vacuum apparition problem, the hypersonic flow around a circular cylinder at Mach 100, and the forward-facing step at Mach 3. 36 refs., 7 figs.

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

PubMed

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

2016-05-01

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. PMID:27155630

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

NASA Astrophysics Data System (ADS)

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

2016-05-01

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.

1. Conditions for critical effects in the mass action kinetics equations for water radiolysis

SciTech Connect

Wittman, Richard S.; Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Smith, Frances N.; Soderquist, Chuck Z.

2014-12-26

We report on a subtle global feature of the mass action kinetics equations for water radiolysis that results in predictions of a critical behavior in H2O2 and associated radical concentrations. While radiolysis kinetics has been studied extensively in the past, it is only in recent years that high speed computing has allowed the rapid exploration of the solution over widely varying dose and compositional conditions. We explore the radiolytic production of H2O2 under various externally fixed conditions of molecular H2 and O2 that have been regarded as problematic in the literature – specifically, “jumps” in predicted concentrations, and inconsistencies between predictions and experiments have been reported for alpha radiolysis. We computationally map-out a critical concentration behavior for alpha radiolysis kinetics using a comprehensive set of reactions. We then show that all features of interest are accurately reproduced with 15 reactions. An analytical solution for steady-state concentrations of the 15 reactions reveals regions in [H2] and [O2] where the H2O2 concentration is not unique – both stable and unstable concentrations exist. The boundary of this region can be characterized analytically as a function of G-values and rate constants independent of dose rate. Physically, the boundary can be understood as separating a region where a steady-state H2O2 concentration exists, from one where it does not exist without a direct decomposition reaction. We show that this behavior is consistent with reported alpha radiolysis data and that no such behavior should occur for gamma radiolysis. We suggest experiments that could verify or discredit a critical concentration behavior for alpha radiolysis and could place more restrictive ranges on G-values from derived relationships between them.

2. Conditions for critical effects in the mass action kinetics equations for water radiolysis

SciTech Connect

Wittman, Richard S.; Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Smith, Frances N.; Soderquist, Chuck Z.

2014-11-25

We report on a subtle global feature of the mass action kinetics equations for water radiolysis that results in predictions of a critical behavior in H2O2 and associated radical concentrations. While radiolysis kinetics has been studied extensively in the past, it is only in recent years that high speed computing has allowed the rapid exploration of the solution over widely varying dose and compositional conditions. We explore the radiolytic production of H2O2 under various externally fixed conditions of molecular H2 and O2 that have been regarded as problematic in the literature – specifically, “jumps” in predicted concentrations, and inconsistencies between predictions and experiments have been reported for alpha radiolysis. We computationally map-out a critical concentration behavior for alpha radiolysis kinetics using a comprehensive set of reactions. We then show that all features of interest are accurately reproduced with 15 reactions. An analytical solution for steady-state concentrations of the 15 reactions reveals regions in [H2] and [O2] where the H2O2 concentration is not unique – both stable and unstable concentrations exist. The boundary of this region can be characterized analytically as a function of G-values and rate constants independent of dose rate. Physically, the boundary can be understood as separating a region where a steady-state H2O2 concentration exists, from one where it does not exist without a direct decomposition reaction. We show that this behavior is consistent with reported alpha radiolysis data and that no such behavior should occur for gamma radiolysis. We suggest experiments that could verify or discredit a critical concentration behavior for alpha radiolysis and could place more restrictive ranges on G-values from derived relationships between them.

3. Padé Approximants for the Equation of State for Relativistic Hydrodynamics by Kinetic Theory

NASA Astrophysics Data System (ADS)

Tsai, Shang-Hsi; Yang, Jaw-Yen

2015-07-01

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.

4. Verification of particle-in-cell simulations against exact solutions of kinetic equations

NASA Astrophysics Data System (ADS)

Turner, Miles

2015-09-01

Demonstrating correctness of computer simulations (or verification) has become a matter of increasing concern in recent years. The strongest type of verification is a demonstration that the simulation converges to an exact solution of the mathematical model that is supposed to be solved. Of course, this is possible only if such an exact solution is available. In this paper, we are interested in kinetic simulation using the particle-in-cell method, and consequently a relevant exact solution must be a solution of a kinetic equation. While we know of no such solutions that exercise all the features of a typical particle-in-cell simulation, in this paper we show that the mathematical literature contains several such solutions that involve a large fraction of the functionality of such a code, and which collectively exercise essentially all of the code functionality. These solutions include the plane diode, the neutron criticality problem, and the calculation of ion energy distribution functions in oscillating fields. In each of theses cases, we can show the the particle-in-cell simulation converges to the exact solution in the expected way. These demonstrations are strong evidence of correct implementation. Work supported by Science Foundation Ireland under grant 08/SRC/I1411.

5. High order asymptotic preserving DG-IMEX schemes for discrete-velocity kinetic equations in a diffusive scaling

NASA Astrophysics Data System (ADS)

Jang, Juhi; Li, Fengyan; Qiu, Jing-Mei; Xiong, Tao

2015-01-01

In this paper, we develop a family of high order asymptotic preserving schemes for some discrete-velocity kinetic equations under a diffusive scaling, that in the asymptotic limit lead to macroscopic models such as the heat equation, the porous media equation, the advection-diffusion equation, and the viscous Burgers' equation. Our approach is based on the micro-macro reformulation of the kinetic equation which involves a natural decomposition of the equation to the equilibrium and non-equilibrium parts. To achieve high order accuracy and uniform stability as well as to capture the correct asymptotic limit, two new ingredients are employed in the proposed methods: discontinuous Galerkin (DG) spatial discretization of arbitrary order of accuracy with suitable numerical fluxes; high order globally stiffly accurate implicit-explicit (IMEX) Runge-Kutta scheme in time equipped with a properly chosen implicit-explicit strategy. Formal asymptotic analysis shows that the proposed scheme in the limit of ε → 0 is a consistent high order discretization for the limiting equation. Numerical results are presented to demonstrate the stability and high order accuracy of the proposed schemes together with their performance in the limit. Our methods are also tested for the continuous-velocity one-group transport equation in slab geometry and for several examples with spatially varying parameters.

6. Thermal electron heating rate - A derivation. [from kinetic equation for earth ionosphere

NASA Technical Reports Server (NTRS)

Hoegy, W. R.

1984-01-01

The thermal electron heating rate is an important heat source term in the ionospheric electron energy balance equation, representing heating by photoelectrons or by precipitating higher energy electrons. A formula for the thermal electron heating rate is derived from the kinetic equation using the electron-electron collision operator as given by the unified theory of Kihara and Aono. This collision operator includes collective interactions to produce a finite collision operator with an exact Coulomb logarithm term. The derived heating rate O(e) is the sum of three terms, O(e) = O(P) + S + O(int), which are respectively: (1) primary electron production term giving the heating from newly created electrons that have not yet suffered collisions with the ambient electrons; (2) a heating term evaluated on the energy surface m(e)/2 = E(T) at the transition between Maxwellian and tail electrons at E(T); and (3) the integral term representing heating of Maxwellian electrons by eneegetic tail electrons at energies ET. Published ionospheric electron temperature studies used only the integral term O(int) with differing lower integration limits. Use of the incomplete heating rate could lead to erroneous conclusions regarding electron heat balance, since O(e) is greater than O(int) by as much as a factor of two. Previously announced in STAR as N84-15941

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

SciTech Connect

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

2014-12-09

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.

8. Formal analogy between the Dirac equation in its Majorana form and the discrete-velocity version of the Boltzmann kinetic equation.

PubMed

Fillion-Gourdeau, F; Herrmann, H J; Mendoza, M; Palpacelli, S; Succi, S

2013-10-18

We point out a formal analogy between the Dirac equation in Majorana form and the discrete-velocity version of the Boltzmann kinetic equation. By a systematic analysis based on the theory of operator splitting, this analogy is shown to turn into a concrete and efficient computational method, providing a unified treatment of relativistic and nonrelativistic quantum mechanics. This might have potentially far-reaching implications for both classical and quantum computing, because it shows that, by splitting time along the three spatial directions, quantum information (Dirac-Majorana wave function) propagates in space-time as a classical statistical process (Boltzmann distribution). PMID:24182245

9. The generalized kinetic equation as a model for the nonlinear transfer in third-generation wave models

NASA Astrophysics Data System (ADS)

Gramstad, Odin; Babanin, Alexander

2016-04-01

An alternative model for the nonlinear interaction term S n l in spectral wave models, the so called generalized kinetic equation (Janssen J Phys Oceanogr 33(4):863-884, 2003; Annenkov and Shrira J Fluid Mech 561:181-207, 2006b; Gramstad and Stiassnie J Fluid Mech 718:280-303, 2013), is discussed and implemented in the third generation wave model WAVEWATCH-III. The generalized kinetic equation includes the effects of near-resonant nonlinear interactions, and is therefore able, in theory, to describe faster nonlinear evolution than the existing forms of S n l which are based on the standard Hasselmann kinetic equation (Hasselmann J Fluid Mech 12:481-500, 1962). Numerical simulations with WAVEWATCH have been carried out to thoroughly test the performance of the new form of S n l , and to compare it to the existing models for S n l in WAVEWATCH; the DIA and WRT. Some differences between the different models for S n l are observed. As expected, the DIA is shown to perform less well compared to the exact terms in certain situations, in particular for narrow wave spectra. Also for the case of turning wind significant differences between the different models are observed. Nevertheless, different from the case of unidirectional waves where the generalized kinetic equation represents a obvious improvement to the standard forms of S n l (Gramstad and Stiassnie 2013), the differences seems to be less pronounced for the more realistic cases considered in this paper.

10. Applications of nonlinear science and kinetic equations to the spread of epidemics

NASA Astrophysics Data System (ADS)

Macinnis, David Robert

The study of the spread of epidemics is currently growing into a successful subfield of a combination of nonlinear science and statistical mechanics. Topics studied in this field include kinetic and mean field levels of epidemiological models. This thesis consists of the analysis of such topics and specifically directed at the Hantavirus, West Nile virus, and the Bubonic Plague. A successful reaction-diffusion equation approach developed recently by Abramson and Kenkre was able to describe spatiotemporal patterns of the Hantavirus model. From measurements of the parameters of their model it was found that the mice, the carriers of the infection, must be regarded as moving diffusively within attractive potentials representative of home ranges. Several attempts have been made to incorporate home ranges into their model. Two of these attempts are discussed within this thesis. A model to explain the transmission of the West Nile virus within bird and mosquito populations was recently developed by Kenkre, Parmenter, Peixoto, and Sadasiv who showed how spatially resolved issues could be discussed but restricted their analysis to mean field considerations. This thesis extends that study by investigating spatial resolution of the infected populations. Traveling waves of the bird and mosquito populations are found in the West Nile context. Infection control of various epidemics has become increasingly important to limit the potential force of infection into the human population. This thesis contains a quantitative attempt at a theory of such control (for the West Nile virus) via spraying of the mosquito population. Mean field and kinetic level models are proposed in this thesis to describe the transmission of the Bubonic Plague which involves flea and mammal populations. The various populations are found to undergo a variety of bifurcations as well as hysteresis in their steady state regime. Spatially resolved analysis of the populations is also presented.

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

PubMed Central

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

12. Rate Equations and Kinetic Parameters of the Reactions Involved in Pyrite Oxidation by Thiobacillus ferrooxidans.

PubMed

Lizama, H M; Suzuki, I

1989-11-01

Rate equations and kinetic parameters were obtained for various reactions involved in the bacterial oxidation of pyrite. The rate constants were 3.5 muM Fe per min per FeS(2) percent pulp density for the spontaneous pyrite dissolution, 10 muM Fe per min per mM Fe for the indirect leaching with Fe, 90 muM O(2) per min per mg of wet cells per ml for the Thiobacillus ferrooxidans oxidation of washed pyrite, and 250 muM O(2) per min per mg of wet cells per ml for the T. ferrooxidans oxidation of unwashed pyrite. The K(m) values for pyrite concentration were similar and were 1.9, 2.5, and 2.75% pulp density for indirect leaching, washed pyrite oxidation by T. ferrooxidans, and unwashed pyrite oxidation by T. ferrooxidans, respectively. The last reaction was competitively inhibited by increasing concentrations of cells, with a K(i) value of 0.13 mg of wet cells per ml. T. ferrooxidans cells also increased the rate of Fe production from Fe plus pyrite. PMID:16348054

13. A kinetic scheme for the Navier-Stokes equations and high-order methods for hyperbolic conservation laws

NASA Astrophysics Data System (ADS)

May, Georg

This dissertation revolves around algorithm development in the context of numerical methods for hyperbolic conservation laws and the compressible Navier-Stokes equations, with particular emphasis on unstructured meshes. Three distinct topics may be identified: Firstly, a new kinetic scheme for the compressible Navier-Stokes equations is developed. Kinetic numerical schemes are based on the discretization of a probability density function. In the context of fluid flow such schemes have a natural basis rooted in the kinetic theory of gases. A significant advantage of kinetic schemes is that they allow a compact, completely mesh-independent discretization of the Navier-Stokes equations, which makes them well suited for next-generation solvers on general unstructured meshes. The new kinetic scheme is based on the Xu-Prenderaast BGK scheme, and achieves a dramatic reduction in computational cost, while also improving and clarifying the formulation with respect to the underlying kinetic gas theory. The second topic addresses high-order numerical methods for conservation laws on unstructured meshes. High-order methods potentially produce higher accuracy with fewer degrees of freedom, compared to standard first or second order accurate schemes, while formulation for unstructured meshes makes complex computational domains amenable. The Spectral Difference Method offers a remarkably simple alternative to such high-order schemes for unstructured meshes as the Discontinuous Galerkin and Spectral Volume Methods. Significant contributions to the development of the Spectral Difference Method are presented, including stability analysis, viscous formulation, and h/p-multigrid convergence acceleration. Finally, the theory of Gibbs-complementary reconstruction is utilized in the context of high-order numerical methods for hyperbolic equations. Gibbs-complementary reconstruction makes it possible to extract pointwise high-order convergence in the spectral approximation of non

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

NASA Astrophysics Data System (ADS)

Sun, Wenjun; Jiang, Song; Xu, Kun; Li, Shu

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) scheme in all

15. Gas-kinetic theory and Boltzmann equation of share price within an equilibrium market hypothesis and ad hoc strategy

NASA Astrophysics Data System (ADS)

Ausloos, M.

2000-09-01

Recent observations have indicated that the traditional equilibrium market hypothesis (EMH; also known as Efficient Market Hypothesis) is unrealistic. It is shown here that it is the analog of a Boltzmann equation in physics, thus having some bad properties of mean-field approximations like a Gaussian distribution of price fluctuations. A kinetic theory for prices can be simply derived, considering in a first approach that market actors have all identical relaxation times, and solved within a Chapman-Enskog like formalism. In closing the set of equations, (i) an equation of state with a pressure and (ii) the equilibrium (isothermal) equation for the price (taken as the order parameter) of a stock as a function of the volume of money available are obtained.

16. A multilevel method for coupling the neutron kinetics and heat transfer equations

SciTech Connect

Tamang, A.; Anistratov, D. Y.

2013-07-01

We present a computational method for adequate and efficient coupling the neutron transport equation with the precursor and heat transfer equations. It is based on the multilevel nonlinear quasidiffusion (QD) method for solving the multigroup transport equation. The system of equations includes the time-dependent high-order transport equation and time-dependent multigroup and effective one-group low-order QD equations. We also formulate a method applying the {alpha}-approximation for the time-dependent high-order transport equation. This approach enables one to avoid storing the angular flux from the previous time step. Numerical results for a model transient problem are presented. (authors)

17. Collision integral in the kinetic equation for a rarefied electron gas with allowance for its spin polarization

SciTech Connect

Sasorov, P. V.; Fomin, I. V.

2015-06-15

The collision integral in the kinetic equation for a rarefied spin-polarized gas of fermions (electrons) is derived. The collisions between these fermions and the collisions with much heavier particles (ions) forming a randomly located stationary background (gas) are taken into account. An important new circumstance is that the particle-particle scattering amplitude is not assumed to be small, which could be obtained, for example, in the first Born approximation. The derived collision integral can be used in the kinetic equation, including that for a relatively cold rarefied spin-polarized plasma with a characteristic electron energy below α{sup 2}m{sub e}c{sup 2}, where α is the fine-structure constant.

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

NASA Technical Reports Server (NTRS)

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.

19. Simulation of rarefied gas flows on the basis of the Boltzmann kinetic equation solved by applying a conservative projection method

NASA Astrophysics Data System (ADS)

Dodulad, O. I.; Kloss, Yu. Yu.; Potapov, A. P.; Tcheremissine, F. G.; Shuvalov, P. V.

2016-06-01

Flows of a simple rarefied gas and gas mixtures are computed on the basis of the Boltzmann kinetic equation, which is solved by applying various versions of the conservative projection method, namely, a two-point method for a simple gas and gas mixtures with a small difference between the molecular masses and a multipoint method in the case of a large mass difference. Examples of steady and unsteady flows are computed in a wide range of Mach and Knudsen numbers.

20. Extracellular microbial polysaccharides. I. Substrate, biomass, and product kinetic equations for batch xanthan gum fermentation

SciTech Connect

Weiss, R.M.; Ollis, D.F.

1980-04-01

Various biomass (X), product (P), and substrate (S) rate equations are investigated in order to synthesize a general xanthan fermentation model from literature data. Analytical forms that provide reasonable descriptions for the X, P, and S behaviors reported by Moraine and Rogovin are shown to be the logistic equation, the Luedeking-Piret equation, and a modified Leudeking-Piret equation, respectively. The autonomous logistic equation allows the serial evaluation of parameters for all three equations, rather than a simultaneous determination required by nonautonomous models. 22 references.

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

NASA Astrophysics Data System (ADS)

Liu, Chang; Xu, Kun; Sun, Quanhua; Cai, Qingdong

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

2. Utilization of Integrated Michaelis-Menten Equation to Determine Kinetic Constants

ERIC Educational Resources Information Center

Bezerra, Rui M. F.; Dias, Albino A.

2007-01-01

Students of biochemistry and related biosciences are urged to solve problems where kinetic parameters are calculated from initial rates obtained at different substrate concentrations. Troubles begin when they go to the laboratory to perform kinetic experiments and realize that usual laboratory instruments do not measure initial rates but only…

3. Kinetic theory of transport processes in partially ionized reactive plasma, I: General transport equations

NASA Astrophysics Data System (ADS)

Zhdanov, V. M.; Stepanenko, A. A.

2016-03-01

In this paper we derive the set of general transport equations for multicomponent partially ionized reactive plasma in the presence of electric and magnetic fields taking into account the internal degrees of freedom and electronic excitation of plasma particles. Our starting point is a generalized Boltzmann equation with the collision integral in the Wang-Chang and Uhlenbeck form and a reactive collision integral. We obtain a set of conservation equations for such plasma and employ a linearized variant of Grad's moment method to derive the system of moment (or transport) equations for the plasma species nonequilibrium parameters. Full and reduced transport equations, resulting from the linearized system of moment equations, are presented, which can be used to obtain transport relations and expressions for transport coefficients of electrons and heavy plasma particles (molecules, atoms and ions) in partially ionized reactive plasma.

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

NASA Astrophysics Data System (ADS)

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

5. Steady-state benchmarks of DK4D: A time-dependent, axisymmetric drift-kinetic equation solver

SciTech Connect

Lyons, B. C.; Jardin, S. C.; Ramos, J. J.

2015-05-15

The DK4D code has been written to solve a set of time-dependent, axisymmetric, finite-Larmor-radius drift-kinetic equations (DKEs) for the non-Maxwellian part of the electron and ion distribution functions using the full, linearized Fokker–Planck–Landau collision operator. The plasma is assumed to be in the low- to finite-collisionality regime, as is found in the cores of modern and future magnetic confinement fusion experiments. Each DKE is formulated such that the perturbed distribution function carries no net density, parallel momentum, or kinetic energy. Rather, these quantities are contained within the background Maxwellians and would be evolved by an appropriate set of extended magnetohydrodynamic (MHD) equations. This formulation allows for straight-forward coupling of DK4D to existing extended MHD time evolution codes. DK4D uses a mix of implicit and explicit temporal representations and finite element and spectral spatial representations. These, along with other computational methods used, are discussed extensively. Steady-state benchmarks are then presented comparing the results of DK4D to expected analytic results at low collisionality, qualitatively, and to the Sauter analytic fits for the neoclassical conductivity and bootstrap current, quantitatively. These benchmarks confirm that DK4D is capable of solving for the correct, gyroaveraged distribution function in stationary magnetic equilibria. Furthermore, the results presented demonstrate how the exact drift-kinetic solution varies with collisionality as a function of the magnetic moment and the poloidal angle.

6. Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

NASA Technical Reports Server (NTRS)

Pratt, D. T.; Radhakrishnan, K.

1986-01-01

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

7. AdS/CFT connection between Boltzmann and Einstein equations: Kinetic theory and pure gravity in AdS space

SciTech Connect

Iyer, Ramakrishnan; Mukhopadhyay, Ayan

2010-04-15

The AdS/CFT correspondence defines a sector with universal strongly coupled dynamics in the field theory as the dual of pure gravity in AdS described by Einstein's equation with a negative cosmological constant. We explain here, from the field-theoretic viewpoint how the dynamics in this sector gets determined by the expectation value of the energy-momentum tensor alone. We first show that the Boltzmann equation has very special solutions which could be functionally completely determined in terms of the energy-momentum tensor alone. We call these solutions conservative solutions. We indicate why conservative solutions should also exist when we refine this kinetic description to go closer to the exact microscopic theory or even move away from the regime of weak coupling so that no kinetic description could be employed. We argue that these conservative solutions form the universal sector dual to pure gravity at strong coupling and large N. Based on this observation, we propose a regularity condition on the energy-momentum tensor so that the dual solution in pure gravity has a smooth future horizon. We also study if irreversibility emerges only at long time scales of observation, unlike the case of the Boltzmann equation.

8. Using Lamm-Equation Modeling of Sedimentation Velocity Data to Determine the Kinetic and Thermodynamic Properties of Macromolecular Interactions

PubMed Central

Brautigam, Chad A.

2011-01-01

The interaction of macromolecules with themselves and with other macromolecules is fundamental to the functioning of living systems. Recent advances in the analysis of sedimentation velocity (SV) data obtained by analytical ultracentrifugation allow the experimenter to determine important features of such interactions, including the equilibrium association constant and information about the kinetic off-rate of the interaction. The determination of these parameters is made possible by the ability of modern software to fit numerical solutions of the Lamm Equation with kinetic considerations directly to SV data. Herein, the SV analytical advances implemented in the software package SEDPHAT are summarized. Detailed analyses of SV data using these strategies are presented. Finally, a few highlights of recent literature reports that feature this type of SV data analysis are surveyed. PMID:21187153

9. Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

DOE PAGESBeta

Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.

2016-04-08

Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less

10. Collision frequencies in density-matrix kinetic equations describing nonlinear effects in the wings of spectral lines

SciTech Connect

Parkhomenko, A I; Shalagin, Anatolii M

2011-11-30

Using the eikonal approximation, we have calculated effective collision frequencies in density-matrix kinetic equations describing nonlinear effects in the wings of spectral lines. We have established the relation between the probabilities of absorption and stimulated emission and the characteristics of the radiation and elementary scattering event. The example of the power interaction potential shows that quantum mechanical calculation of the collision frequencies in the eikonal approximation and previously known spectral line wing theory give similar results for the probability of radiation absorption.

11. Analytical and semianalytical solutions to the kinetic equation with Coulomb collision term and a monoenergetic source function

SciTech Connect

Goncharov, P. R.; Kuteev, B. V.; Ozaki, T.; Sudo, S.

2010-11-15

Analytical and semianalytical solutions have been obtained using a practical dimensionless form of Boltzmann kinetic equation assuming spatial homogeneity, azimuthal symmetry, and Maxwellian distributions of target plasma species. In contrast with formerly considered simplified equations with truncated collision terms, the exact Landau-Boltzmann collision operator is used, which conserves the number of particles, nullifies the collision term at statistical equilibrium, and describes the Maxwellization process naturally observed in correct solutions. A comparison with previous stationary and time-dependent analytical solutions is given. The new semianalytical results can be used in numerical modeling, for verification of solutions in more complex models, and in experimental data analysis, especially concerning nuclear processes and advanced localized, angle-resolved suprathermal particle diagnostics.

12. A Gas-Kinetic Method for Hyperbolic-Elliptic Equations and Its Application in Two-Phase Fluid Flow

NASA Technical Reports Server (NTRS)

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.

13. A covariant Fokker-Planck equation for a simple gas from relativistic kinetic theory

SciTech Connect

Chacon-Acosta, Guillermo; Dagdug, Leonardo; Morales-Tecotl, Hugo A.

2010-12-14

A manifestly covariant Fokker-Planck differential equation is derived for the case of a relativistic simple gas by taking a small momentum transfer approximation within the collision integral of the relativistic Boltzmann equation. We follow closely previous work, with the main difference that we keep manifest covariance at every stage of the analysis. In addition, we use the covariant Juettner distribution function to find a relativistic generalization of the Einstein's fluctuation-dissipation relation.

14. A Reynolds-averaged turbulence modeling approach using three transport equations for the turbulent viscosity, kinetic energy, and dissipation rate

NASA Astrophysics Data System (ADS)

Yoshizawa, Akira; Abe, Hiroyuki; Matsuo, Yuichi; Fujiwara, Hitoshi; Mizobuchi, Yasuhiro

2012-07-01

A Reynolds-averaged approach to turbulent shear flows is sought with resort to a three-equation method. Its novelty is the introduction of a turbulent-viscosity transport equation through the transport equation for the Reynolds stress in addition to those for the turbulent kinetic energy and the dissipation rate. The latter two equations are used for evaluating the dimensional coefficients in the former. The aim of this model is to enhance the capability to cope with nonstationary and advection effects in various turbulent flows. The adaptability to them is confirmed through the application to homogeneous-shear and supersonic free-shear flows. In particular, the reasonable prediction is obtained in the latter where the growth rate of the shear layer is suppressed with the increase in the convective Mach number. The present model is also applied to a three-dimensional flow past a wing tip as an instance of complex aeronautical flows, and the excessive diffusion of the trailing vortices is shown to be suppressed. The turbulent-viscosity representation for the Reynolds stress is systematically supplemented with nonlinear effects of mean-velocity gradient tensors, and its adequacy is verified in a channel flow.

15. Approaches to the solution of coupled multiexponential transient-state rate kinetic equations: A critical review.

PubMed

Fisher, Harvey F

2016-08-01

The transient-state kinetic approach has failed to reach its full potential despite its advantage over the steady-state approach in its ability to observe mechanistic events directly and in real time. This failure has been due in part to the lack of any rigorously derived and readily applicable body of theory corresponding to that which currently characterizes the steady-state approach. In order to clarify the causes of this discrepancy and to suggest a route to its solution we examine the capabilities and limitations of the various forms of transient-state kinetic approaches to the mathematical resolution of enzymatic reaction mechanisms currently available. We document a lack of validity inherent in their basic assumptions and suggest the need for a potentially more rigorous analytic approach. PMID:27173736

16. Reduced fluid-kinetic equations for low-frequency dynamics, magnetic reconnection, and electron heating in low-beta plasmas

SciTech Connect

Zocco, Alessandro; Schekochihin, Alexander A.

2011-10-15

A minimal model for magnetic reconnection and, generally, low-frequency dynamics in low-beta plasmas is proposed. The model combines analytical and computational simplicity with physical realizability: it is a rigorous limit of gyrokinetics for plasma beta of order the electron-ion mass ratio. The model contains collisions and can be used both in the collisional and collisionless reconnection regimes. It includes gyrokinetic ions (not assumed cold) and allows for the topological rearrangement of the magnetic field lines by either resistivity or electron inertia, whichever predominates. The two-fluid dynamics are coupled to electron kinetics--electrons are not assumed isothermal and are described by a reduced drift-kinetic equation. The model, therefore allows for irreversibility and conversion of magnetic energy into electron heat via parallel phase mixing in velocity space. An analysis of the exchanges between various forms of free energy and its conversion into electron heat is provided. It is shown how all relevant linear waves and regimes of the tearing instability (collisionless, semicollisional, and fully resistive) are recovered in various limits of our model. An efficient way to simulate our equations numerically is proposed, via the Hermite representation of the velocity space. It is shown that small scales in velocity space will form, giving rise to a shallow Hermite-space spectrum, whence it is inferred that, for steady-state or sufficiently slow dynamics, the electron heating rate will remain finite in the limit of vanishing collisionality.

17. Exact solution of the one- and three-dimensional quantum kinetic equations with velocity-dependent collision rates: Comparative analysis

NASA Astrophysics Data System (ADS)

Privalov, T.; Shalagin, A.

1999-06-01

The interaction of a plane monochromatic traveling wave with two-level particles suffering collisions with buffer-gas particles is considered. Collision rates are assumed to be velocity dependent. The collision integral is obtained on the basis of the strong-collision model, generalized to the case of velocity-dependent collision rates (the so-called kangaroo'' model). We obtained the exact analytical solution of the problem for arbitrary intensity of radiation, arbitrary ratio of homogeneous and Doppler widths of the absorption line, and arbitrary mass ratio between absorbing- and buffer-gas particles. The obtained analytical solutions of the quantum kinetic equations allowed us to analyze the spectral shape of the strong-field absorption line as well as the probe-field absorption line (the nonlinear part of the work done by the probe field) and the frequency dependence of the light-induced drift (LID) velocity. A comprehensive comparative analysis for the three- and one-dimensional versions of the model is given. On the basis of this analysis, we reach the conclusion that the one-dimensional quantum kinetic equation has quite a wide range of application. We also reveal the conditions for the strongest manifestation of the velocity dependence of the collision rates, which affects most strongly the anomalous LID.

18. Evaluation of the recrystallization kinetics of hot-melt extruded polymeric solid dispersions using an improved Avrami equation.

PubMed

Feng, Xin; Ye, Xingyou; Park, Jun-Bom; Lu, Wenli; Morott, Joe; Beissner, Brad; Lian, Zhuoyang John; Pinto, Elanor; Bi, Vivian; Porter, Stu; Durig, Tom; Majumdar, Soumyajit; Repka, Michael A

2015-01-01

The recrystallization of an amorphous drug in a solid dispersion system could lead to a loss in the drug solubility and bioavailability. The primary objective of the current research was to use an improved kinetic model to evaluate the recrystallization kinetics of amorphous structures and to further understand the factors influencing the physical stability of amorphous solid dispersions. Amorphous solid dispersions of fenofibrate with different molecular weights of hydroxypropylcellulose, HPC (Klucel™ LF, EF, ELF) were prepared utilizing hot-melt extrusion technology. Differential scanning calorimetry was utilized to quantitatively analyze the extent of recrystallization in the samples stored at different temperatures and relative humidity (RH) conditions. The experimental data were fitted into the improved kinetics model of a modified Avrami equation to calculate the recrystallization rate constants. Klucel LF, the largest molecular weight among the HPCs used, demonstrated the greatest inhibition of fenofibrate recrystallization. Additionally, the recrystallization rate (k) decreased with increasing polymer content, however exponentially increased with higher temperature. Also k increased linearly rather than exponentially over the range of RH studied. PMID:25224341

19. A numerical method for integrating the kinetic equations of droplet spectra evolution by condensation/evaporation and by coalescence/breakup processes

NASA Technical Reports Server (NTRS)

Emukashvily, I. M.

1982-01-01

An extension of the method of moments is developed for the numerical integration of the kinetic equations of droplet spectra evolution by condensation/evaporation and by coalescence/breakup processes. The number density function n sub k (x,t) in each separate droplet packet between droplet mass grid points (x sub k, x sub k+1) is represented by an expansion in orthogonal polynomials with a given weighting function. In this way droplet number concentrations, liquid water contents and other moments in each droplet packet are conserved and the problem of solving the kinetic equations is replaced by one of solving a set of coupled differential equations for the number density function moments. The method is tested against analytic solutions of the corresponding kinetic equations. Numerical results are obtained for different coalescence/breakup and condensation/evaporation kernels and for different initial droplet spectra. Also droplet mass grid intervals, weighting functions, and time steps are varied.

20. Thermostatted kinetic equations as models for complex systems in physics and life sciences

NASA Astrophysics Data System (ADS)

Bianca, Carlo

2012-12-01

Statistical mechanics is a powerful method for understanding equilibrium thermodynamics. An equivalent theoretical framework for nonequilibrium systems has remained elusive. The thermodynamic forces driving the system away from equilibrium introduce energy that must be dissipated if nonequilibrium steady states are to be obtained. Historically, further terms were introduced, collectively called a thermostat, whose original application was to generate constant-temperature equilibrium ensembles. This review surveys kinetic models coupled with time-reversible deterministic thermostats for the modeling of large systems composed both by inert matter particles and living entities. The introduction of deterministic thermostats allows to model the onset of nonequilibrium stationary states that are typical of most real-world complex systems. The first part of the paper is focused on a general presentation of the main physical and mathematical definitions and tools: nonequilibrium phenomena, Gauss least constraint principle and Gaussian thermostats. The second part provides a review of a variety of thermostatted mathematical models in physics and life sciences, including Kac, Boltzmann, Jager-Segel and the thermostatted (continuous and discrete) kinetic for active particles models. Applications refer to semiconductor devices, nanosciences, biological phenomena, vehicular traffic, social and economics systems, crowds and swarms dynamics.

1. Treatment of Severe Metabolic Alkalosis with Continuous Renal Replacement Therapy: Bicarbonate Kinetic Equations of Clinical Value.

PubMed

Yessayan, Lenar; Yee, Jerry; Frinak, Stan; Kwon, David; Szamosfalvi, Balazs

2015-01-01

Concomitant severe metabolic alkalosis, hypernatremia, and kidney failure pose a therapeutic challenge. Hemodialysis to correct azotemia and abnormal electrolytes results in rapid correction of serum sodium, bicarbonate, and urea but presents a risk for dialysis disequilibrium and brain edema. We describe a patient with Zollinger-Ellison syndrome with persistent encephalopathy, severe metabolic alkalosis (highest bicarbonate 81 mEq/L), hypernatremia (sodium 157 mEq/L), and kidney failure despite 30 hours of intravenous crystalloids and proton pump inhibitor. We used continuous renal replacement therapy (RRT) with delivered hourly urea clearance of ~3 L/hour (24 hour sustained low efficiency dialysis with regional citrate anticoagulation protocol at blood flow rate 60 ml/min and dialysate flow rate 400 ml/min). To mitigate a pronounced decrease in plasma osmolality while removing urea from this hypernatremic patient, dialysate sodium was set to start at 155 mEq/L then at 150 mEq/L after 6 hours. Serum bicarbonate, urea, and sodium were slowly corrected over 26 hours. This case demonstrates how to regulate and predict the systemic bicarbonate level using single pool kinetic modeling during convective or diffusive RRT. Kinetic modeling provides a valuable tool for systemic blood pH control in future combined use of extracorporeal CO2 removal and continuous RRT systems. PMID:25794247

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

NASA Astrophysics Data System (ADS)

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 ν 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.

3. Geochemical kinetics via the Swift-Connick equations and solution NMR

NASA Astrophysics Data System (ADS)

Harley, Steven J.; Ohlin, C. André; Casey, William H.

2011-07-01

Signal analysis in Nuclear Magnetic Resonance spectroscopy is among the most powerful methods to quantify reaction rates in aqueous solutions. To this end, the Swift-Connick approximations to the Bloch-McConnell equations have been used extensively to estimate rate parameters for elementary reactions. The method is primarily used for 17O NMR in aqueous solutions, but the list of geochemically relevant nuclei that can be used is long, and includes 29Si, 27Al, 19F, 13C and many others of particular interest to geochemists. Here we review the derivation of both the Swift-Connick and Bloch-McConnell equations and emphasize assumptions and quirks. For example, the equations were derived for CW-NMR, but are used with modern pulse FT-NMR and can be applied to systems that have exchange rates that are shorter than the lifetime of a typical pulse. The method requires a dilute solution where the minor reacting species contributes a negligible amount of total magnetization. We evaluate the sensitivity of results to this dilute-solution requirement and also highlight the need for chemically well-defined systems if reliable data are to be obtained. The limitations in using longitudinal relaxation to estimate reaction rate parameters are discussed. Finally, we provide examples of the application of the method, including ligand exchanges from aqua ions and hydrolysis complexes, that emphasize its flexibility. Once the basic requirements of the Swift-Connick method are met, it allows geochemists to establish rates of elementary reactions. Reactions at this scale lend themselves well to methods of computational simulation and could provide key tests of accuracy.

4. Characterization of Weak Convergence of Probability-Valued Solutions of General One-Dimensional Kinetic Equations

NASA Astrophysics Data System (ADS)

Perversi, Eleonora; Regazzini, Eugenio

2015-05-01

For a general inelastic Kac-like equation recently proposed, this paper studies the long-time behaviour of its probability-valued solution. In particular, the paper provides necessary and sufficient conditions for the initial datum in order that the corresponding solution converges to equilibrium. The proofs rest on the general CLT for independent summands applied to a suitable Skorokhod representation of the original solution evaluated at an increasing and divergent sequence of times. It turns out that, roughly speaking, the initial datum must belong to the standard domain of attraction of a stable law, while the equilibrium is presentable as a mixture of stable laws.

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

NASA Technical Reports Server (NTRS)

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.

6. A Bhatnagar-Gross-Krook-like Model Kinetic Equation for a Granular Gas of Inelastic Rough Hard Spheres

SciTech Connect

Santos, Andres

2011-05-20

The Boltzmann collision operator for a dilute granular gas of inelastic rough hard spheres is much more intricate than its counterpart for inelastic smooth spheres. Now the one-body distribution function depends not only on the translational velocity v of the center of mass but also on the angular velocity {omega} of the particle. Moreover, the collision rules couple v and {omega}, involving not only the coefficient of normal restitution {alpha} but also the coefficient of tangential restitution {beta}. The aim of this paper is to propose an extension to inelastic rough particles of a Bhatnagar-Gross-Krook-like kinetic model previously proposed for inelastic smooth particles. The Boltzmann collision operator is replaced by the sum of three terms representing: (i) the relaxation to a two-temperature local equilibrium distribution, (ii) the action of a nonconservative drag force F proportional to v-u(u being the flow velocity), and (iii) the action of a nonconservative torque M equal to a linear combination of {omega} and {Omega}({Omega} being the mean angular velocity). The three coefficients in F and M are fixed to reproduce the Boltzmann collisional rates of change of {Omega} and of the two granular temperatures (translational and rotational). A simpler version of the model is also constructed in the form of two coupled kinetic equations for the translational and rotational velocity distributions. The kinetic model is applied to the simple shear flow steady state and the combined influence of {alpha} and {beta} on the shear and normal stresses and on the translational velocity distribution function is analyzed.

7. Pharmaceutical solid-state kinetic stability investigation by using moisture-modified Arrhenius equation and JMP statistical software.

PubMed

Fu, Mingkun; Perlman, Michael; Lu, Qing; Varga, Csanad

2015-03-25

An accelerated stress approach utilizing the moisture-modified Arrhenius equation and JMP statistical software was utilized to quantitatively assess the solid state stability of an investigational oncology drug MLNA under the influence of temperature (1/T) and humidity (%RH). Physical stability of MLNA under stress conditions was evaluated by using XRPD, DSC, TGA, and DVS, while chemical stability was evaluated by using HPLC. The major chemical degradation product was identified as a hydrolysis product of MLNA drug substance, and was subsequently subjected to an investigation of kinetics based on the isoconversion concept. A mathematical model (ln k=-11,991×(1/T)+0.0298×(%RH)+29.8823) based on the initial linear kinetics observed for the formation of this degradant at all seven stress conditions was built by using the moisture-modified Arrhenius equation and JMP statistical software. Comparison of the predicted versus experimental lnk values gave a mean deviation value of 5.8%, an R(2) value of 0.94, a p-value of 0.0038, and a coefficient of variation of the root mean square error CV(RMSE) of 7.9%. These statistics all indicated a good fit to the model for the stress data of MLNA. Both temperature and humidity were shown to have a statistically significant impact on stability by using effect leverage plots (p-value<0.05 for both 1/T and %RH). Inclusion of a term representing the interaction of relative humidity and temperature (%RH×1/T) was shown not to be justified by using Analysis of Covariance (ANCOVA), which supported the use of the moisture-corrected Arrhenius equation modeling theory. The model was found to be of value to aid setting of specifications and retest period, and storage condition selection. A model was also generated using only four conditions, as an example from a resource saving perspective, which was found to provide a good fit to the entire set of data. PMID:25656488

8. Inference for Stochastic Chemical Kinetics Using Moment Equations and System Size Expansion

PubMed Central

Thomas, Philipp; Kazeroonian, Atefeh; Theis, Fabian J.; Grima, Ramon; Hasenauer, Jan

2016-01-01

Quantitative mechanistic models are valuable tools for disentangling biochemical pathways and for achieving a comprehensive understanding of biological systems. However, to be quantitative the parameters of these models have to be estimated from experimental data. In the presence of significant stochastic fluctuations this is a challenging task as stochastic simulations are usually too time-consuming and a macroscopic description using reaction rate equations (RREs) is no longer accurate. In this manuscript, we therefore consider moment-closure approximation (MA) and the system size expansion (SSE), which approximate the statistical moments of stochastic processes and tend to be more precise than macroscopic descriptions. We introduce gradient-based parameter optimization methods and uncertainty analysis methods for MA and SSE. Efficiency and reliability of the methods are assessed using simulation examples as well as by an application to data for Epo-induced JAK/STAT signaling. The application revealed that even if merely population-average data are available, MA and SSE improve parameter identifiability in comparison to RRE. Furthermore, the simulation examples revealed that the resulting estimates are more reliable for an intermediate volume regime. In this regime the estimation error is reduced and we propose methods to determine the regime boundaries. These results illustrate that inference using MA and SSE is feasible and possesses a high sensitivity. PMID:27447730

9. Inference for Stochastic Chemical Kinetics Using Moment Equations and System Size Expansion.

PubMed

Fröhlich, Fabian; Thomas, Philipp; Kazeroonian, Atefeh; Theis, Fabian J; Grima, Ramon; Hasenauer, Jan

2016-07-01

Quantitative mechanistic models are valuable tools for disentangling biochemical pathways and for achieving a comprehensive understanding of biological systems. However, to be quantitative the parameters of these models have to be estimated from experimental data. In the presence of significant stochastic fluctuations this is a challenging task as stochastic simulations are usually too time-consuming and a macroscopic description using reaction rate equations (RREs) is no longer accurate. In this manuscript, we therefore consider moment-closure approximation (MA) and the system size expansion (SSE), which approximate the statistical moments of stochastic processes and tend to be more precise than macroscopic descriptions. We introduce gradient-based parameter optimization methods and uncertainty analysis methods for MA and SSE. Efficiency and reliability of the methods are assessed using simulation examples as well as by an application to data for Epo-induced JAK/STAT signaling. The application revealed that even if merely population-average data are available, MA and SSE improve parameter identifiability in comparison to RRE. Furthermore, the simulation examples revealed that the resulting estimates are more reliable for an intermediate volume regime. In this regime the estimation error is reduced and we propose methods to determine the regime boundaries. These results illustrate that inference using MA and SSE is feasible and possesses a high sensitivity. PMID:27447730

10. Kinetic theory of spin-polarized systems in electric and magnetic fields with spin-orbit coupling. I. Kinetic equation and anomalous Hall and spin-Hall effects

NASA Astrophysics Data System (ADS)

Morawetz, K.

2015-12-01

The coupled kinetic equation for density and spin Wigner functions is derived including spin-orbit coupling, electric and magnetic fields, and self-consistent Hartree mean fields suited for SU(2) transport. The interactions are assumed to be with scalar and magnetic impurities as well as scalar and spin-flip potentials among the particles. The spin-orbit interaction is used in a form suitable for solid state physics with Rashba or Dresselhaus coupling, graphene, extrinsic spin-orbit coupling, and effective nuclear matter coupling. The deficiencies of the two-fluid model are worked out consisting of the appearance of an effective in-medium spin precession. The stationary solution of all these systems shows a band splitting controlled by an effective medium-dependent Zeeman field. The self-consistent precession direction is discussed and a cancellation of linear spin-orbit coupling at zero temperature is reported. The precession of spin around this effective direction caused by spin-orbit coupling leads to anomalous charge and spin currents in an electric field. Anomalous Hall conductivity is shown to consist of the known results obtained from the Kubo formula or Berry phases and a symmetric part interpreted as an inverse Hall effect. Analogously the spin-Hall and inverse spin-Hall effects of spin currents are discussed which are present even without magnetic fields showing a spin accumulation triggered by currents. The analytical dynamical expressions for zero temperature are derived and discussed in dependence on the magnetic field and effective magnetizations. The anomalous Hall and spin-Hall effect changes sign at higher than a critical frequency dependent on the relaxation time.

11. Self-Consistent System of Equations for a Kinetic Description of the Low-Pressure Discharges Accounting for the Nonlocal and Collisionless Electron Dynamics

SciTech Connect

Igor D. Kaganovich; Oleg Polomarov

2003-05-19

In low-pressure discharges, when the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially non-local. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the non-local conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, non-uniform, nearly collisionless plasmas of low-pressure discharges is derived. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. The importance of accounting for the non-uniform plasma density profile on both the current density profile and the EEDF is demonstrated.

12. The solution to the nuclear reactor kinetic equations with a continuous slowing down model using numerical Laplace transform inversion

SciTech Connect

Ravetto, P.; Sumini, M.; Ganapol, B.D.

1988-01-01

In an attempt to better understand the influence of prompt and delayed neutrons on nuclear reactor dynamics, a continuous slowing down model based on Fermi age theory was developed several years ago. This model was easily incorporated into the one-group diffusion equation and provided a realistic physical picture of how delayed and prompt neutrons slow down and simultaneously diffuse throughout a medium. The model allows for different slowing down times for each delayed neutron group as well as for prompt neutrons and for spectral differences between the two typed of neutrons. Because of its generality, this model serves not only a a useful predictive tool to anticipate reactor transients, but also as an excellent educational tool to demonstrate the effect of delayed neutrons in reactor kinetics. However, because of numerical complications, the slowing down model could not be developed to its full potential. In particular, the major limitation was the inversion of the Laplace transform, which relied on a knowledge of the poles associated with the resulting transformed flux. For this reason, only one group of delayed neutrons and times longer than the slowing down times could be considered. As is shown, the new inversion procedure removes the short time limitation as well as allows for any number of delayed neutron groups. The inversion technique is versatile and is useful in teaching numerical methods in nuclear science.

13. Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

NASA Technical Reports Server (NTRS)

Pratt, D. T.

1984-01-01

Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

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

NASA Astrophysics Data System (ADS)

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.

15. Kinlsq: a program for fitting kinetics data with numerically integrated rate equations and its application to the analysis of slow, tight-binding inhibition data.

PubMed

Gutheil, W G; Kettner, C A; Bachovchin, W W

1994-11-15

Kinlsq, a Matlab-based computer program for the least-squares fitting of parameters to kinetics data described by numerically integrated rate equations, is described, and three applications to the analysis of enzyme kinetics data are given. The first application was to the analysis of a simple bimolecular enzyme plus inhibitor binding curve. The kinlsq fit to these data was essentially identical to that obtained with the corresponding analytically integrated rate equation, validating kinlsq. The second application was to the fit of a numerically integrated Michaelis-Menten model to the progress curve for dipeptidyl peptidase IV-catalyzed hydrolysis of Ala-Pro-p-nitroanilide as a demonstration of the analysis of steady-state enzyme kinetics data. The results obtained with kinlsq were compared with the results obtained by fitting this time course with the integrated Michaelis-Menten equation, and with the results obtained by fitting the (S,dP/dt) transform of the data with the Michaelis-Menten equation. The third application was to the analysis of the inhibition of chymotrypsin by the slow, tight-binding inhibitor MeOSuc-Ala-Ala-Pro-boroPhe, data not readily amenable to other methods of analysis. These applications demonstrate how kinlsq can be used to fit rate constants, equilibrium constants, steady-state constants, and the stoichiometric relationships between components. PMID:7695087

16. Numerical modeling of the sound propagation through a rarefied gas in a semi-infinite space on the basis of linearized kinetic equation.

PubMed

Sharipov, Felix; Kalempa, Denize

2008-10-01

The sound propagation through a rarefied gas is investigated on the basis of the linearized kinetic equation. A plate oscillating in the direction normal to its own plane is considered as a sound wave source. It is assumed a fully established oscillation so that the solution of the kinetic equation depends on time harmonically, while its dependence on the spatial coordinates is obtained numerically. The problem is solved over a wide range of the oscillation speed parameter defined as a ratio of the intermolecular collision frequency to the sound frequency. In order to evaluate the influence of the momentum and energy accommodation coefficients on the solution of the problem, the Cercignani-Lampis scattering kernel is applied as the boundary condition. An analysis of wave characteristics near the source surface shows that they are significantly different from those far from the surface even if the oscillation is slow, i.e., the solution is not harmonic in the space. PMID:19062839

17. Equations describing the effects of the transient stability of subpopulations of nascent hnRNAs on the kinetics of turnover of hnRNA.

PubMed Central

Kleene, K C

1986-01-01

The equations that have been used previously to analyse the rate of decay of hnRNA implicitly assume that nascent hnRNAs are degraded stochastically. This assumption is inconsistent with electron-microscopic studies of transcription cited here, which show that nascent hnRNAs are not degraded during transcription, implying that hnRNA degradation occurs only after termination of transcription and release of the hnRNA from chromatin. Equations are derived describing the accumulation of radioactivity hnRNA during continuous labelling assuming that nascent hnRNAs are stable and that hnRNAs decay with first-order kinetics only after completion of transcription. The effects of the transient stability of nascent hnRNAs on the kinetics of hnRNA turnover can become important when the half-life of the hnRNA is shorter than the time to transcribe an hnRNA from the point of initiation to the point of termination. These equations should prove useful in studies of hnRNA turnover that require a precise description of the labelling kinetics of nascent and completed subpopulations of hnRNA. PMID:3707533

18. Equations describing the effects of the transient stability of subpopulations of nascent hnRNAs on the kinetics of turnover of hnRNA.

PubMed

Kleene, K C

1986-02-01

The equations that have been used previously to analyse the rate of decay of hnRNA implicitly assume that nascent hnRNAs are degraded stochastically. This assumption is inconsistent with electron-microscopic studies of transcription cited here, which show that nascent hnRNAs are not degraded during transcription, implying that hnRNA degradation occurs only after termination of transcription and release of the hnRNA from chromatin. Equations are derived describing the accumulation of radioactivity hnRNA during continuous labelling assuming that nascent hnRNAs are stable and that hnRNAs decay with first-order kinetics only after completion of transcription. The effects of the transient stability of nascent hnRNAs on the kinetics of hnRNA turnover can become important when the half-life of the hnRNA is shorter than the time to transcribe an hnRNA from the point of initiation to the point of termination. These equations should prove useful in studies of hnRNA turnover that require a precise description of the labelling kinetics of nascent and completed subpopulations of hnRNA. PMID:3707533

19. Boltzmann equation modelling of Learning Dynamics. Comment on "Collective learning modeling based on the kinetic theory of active particles" by D. Burini et al.

NASA Astrophysics Data System (ADS)

Shizgal, Bernie

2016-03-01

The paper by Burini et al. [7] presents an interesting use of the Boltzmann equation of kinetic theory to model real learning processes. The authors provide a comprehensive discussion of the basic concepts involved in their modelling work. The Boltzmann equation as used by physicists and chemists to model a variety of transport processes in many diverse fields is based on the notion of the binary collisions between identifiable particles in the defined system [9]. The particles exchange energy on collision and the distribution function, which depends on the three velocity components and the three spatial coordinates, varies with time. The classical or quantum collision dynamics between particles play a central role in the definition of the kernels in the integral operators that define the Boltzmann equation [8].

20. On the accuracy of a one-dimensional approach to the solution of kinetic equations with velocity-dependent collision frequencies

SciTech Connect

Parkhomenko, A. I. Shalagin, A. M.

2014-11-15

The solution of many problems in light-induced gas kinetics can be simplified significantly using quantum kinetic equations in the context of the so-called one-dimensional approximation, in which the initial equations are averaged over transverse (relative to the direction of radiation) velocities. The errors introduced in such an approach are usually assumed to be small; however, this has been confirmed quantitatively only on the basis of the simplest (two- and three-level) particle models. We analyze the accuracy of the one-dimensional approximation for multilevel particles quantitatively for the light-induced drift (LID) effect in cesium atoms in the atmosphere of inert buffer gases. It is shown that in the case of the so-called “normal” LID, one-dimensional kinetic equations can always be used instead of three-dimensional equations without a risk of losing some important fine details in the dependence of the drift velocity on the radiation frequency. In the case of anomalous LID, the error of the one-dimensional approximation is also insignificant, but it can be disregarded only in the case of light buffer particles. For comparable masses of resonant and buffer particles, the one-dimensional approximation may give a noticeable error in determination of drift velocity amplitudes; however, the positions of drift velocity zeros and extrema depending on radiation-frequency detuning can be described successfully. Results show that the error introduced by using the one-dimensional approximation for multilevel particles turns out to be more significant than for the simplest particle models.

1. Solving Kinetic Equations for the Laser Flash Photolysis Experiment on Nitric Oxide Synthases: Effect of Conformational Dynamics on the Interdomain Electron Transfer.

PubMed

Astashkin, Andrei V; Feng, Changjian

2015-11-12

The production of nitric oxide by the nitric oxide synthase (NOS) enzyme depends on the interdomain electron transfer (IET) between the flavin mononucleotide (FMN) and heme domains. Although the rate of this IET has been measured by laser flash photolysis (LFP) for various NOS proteins, no rigorous analysis of the relevant kinetic equations was performed so far. In this work, we provide an analytical solution of the kinetic equations underlying the LFP approach. The derived expressions reveal that the bulk IET rate is significantly affected by the conformational dynamics that determines the formation and dissociation rates of the docking complex between the FMN and heme domains. We show that in order to informatively study the electron transfer across the NOS enzyme, LFP should be used in combination with other spectroscopic methods that could directly probe the docking equilibrium and the conformational change rate constants. The implications of the obtained analytical expressions for the interpretation of the LFP results from various native and modified NOS proteins are discussed. The mathematical formulas derived in this work should also be applicable for interpreting the IET kinetics in other modular redox enzymes. PMID:26477677

2. Inverse Kinetics

Energy Science and Technology Software Center (ESTSC)

2000-03-20

Given the space-independent, one energy group reactor kinetics equations and the initial conditions, this prgram determines the time variation of reactivity required to produce the given input of flux-time data.

3. Quantitative determination of the steady-state kinetics of multienzyme reactions using the algebraic rate equations for the component single-enzyme reactions.

PubMed Central

Stoner, C D

1993-01-01

Methods are given whereby the steady-state kinetic characteristics of multienzyme reactions consisting of individual single-enzyme reactions linked by freely diffusible intermediates can be determined quantitatively from the experimentally determined complete algebraic rate equations for the individual reactions. The approach is based on the fact that a valid steady-state rate equation for such a multienzyme reaction, in terms of the rate equations for the individual reactions, can be obtained simply from knowledge of the relative rates of the individual reactions when the multienzyme reaction is in the steady state. A number of model multienzyme reactions, which differ as to structural arrangement of the individual reactions, are examined by this approach. Simple mathematical methods which are applicable to most of these models are given for direct calculation of dependent variables. It is either pointed out or demonstrated with Mathematica that the rate equations for all of these models can be handled very easily with the aid of a personal computer equipped with appropriate equation-solving software. Since the approach permits evaluation of all dependent variables for any specific combination of values for the kinetic parameters and independent variables, numerical values for the flux control coefficients of the individual enzymes can be obtained by direct calculation for a wide variety of conditions and can be compared with those obtained according to the methods of Metabolic Control Analysis. Several such comparisons have been made and in all cases identical results were obtained. The intuitive notion that the individual enzymes of a multienzyme reaction would be equally rate limiting if the total amount of enzyme were being used with maximum efficiency is tested and shown to be incorrect. In the course of this test the flux control coefficient for the individual enzymes were found to be appropriate indicators of relative rate limitation or control by the

4. Use of Coupled Rate Equations to Model NIR-to-Visible Upconversion Kinetics in Er3+, Yb3+: NaYF4 Nanocrystals

NASA Astrophysics Data System (ADS)

Yao, Ge

The Er3+, Yb3+: NaYF4 system is the most efficient upconversion (UC) phosphor known, and yet the kinetic details of the mechanism responsible for upconversion are poorly understood. In this work, the dynamics of the photo-physical processes leading to NIR-to-visible upconversion luminescence in Er3+, Yb3+: NaYF 4 nanocrystals are investigated using a coupled-rate-equation model. The rate equations used in the simulation contain parameters representing the microscopic rate constants for individual mechanistic steps. Following initial population of the excited Yb3+ 2F5/2 state in the NIR, the population density of the excited states of the Er 3+ and Yb3+ ions are propagated as a function of time. Experimental spectroscopic characterization performed in our research group provides the data with which to study the kinetics of the UC process. The data include the time evolution of green, red, 1.0microm, and 1.5microm emission following pulsed excitation (decay curves), and the relative integrated intensity ratios of green, red, 1.0microm, and 1.5microm emission as a function of excitation power. Simulated and experimental decay curves and intensity ratios are compared to determine the optimum set of parameterized kinetic rate constants. The curve fits and integrated-relative-intensity-ratio fits are optimized using a Nelder-Meade simplex search method, in which the parameters are chosen to minimize the chi2 value calculated from the difference of the simulated and measure intensity ratios and the simulated and measured decay curves. The optimized parameter values obtained from the fits are physically reasonable, which suggests that the rate-equation modeling is an appropriate approach to describe the UC process in Er 3+, Yb3+: NaYF4 nanocrystals.

5. Gaussian short-time propagators and electron kinetics: Numerical evaluation of path-sum solutions to Fokker{endash}Planck equations for rf heating and current drive

SciTech Connect

Bizarro, J.P.; Belo, J.H.; Figueiredo, A.C.

1997-06-01

Knowing that short-time propagators for Fokker{endash}Planck equations are Gaussian, and based on a path-sum formulation, an efficient and simple numerical method is presented to solve the initial-value problem for electron kinetics during rf heating and current drive. The formulation is thoroughly presented and discussed, its advantages are stressed, and general, practical criteria for its implementation are derived regarding the time step and grid spacing. The new approach is illustrated and validated by solving the one-dimensional model for lower-hybrid current drive, which has a well-known steady-state analytical solution. {copyright} {ital 1997 American Institute of Physics.}

6. Model of 2,3-bisphosphoglycerate metabolism in the human erythrocyte based on detailed enzyme kinetic equations: equations and parameter refinement.

PubMed

Mulquiney, P J; Kuchel, P W

1999-09-15

Over the last 25 years, several mathematical models of erythrocyte metabolism have been developed. Although these models have identified the key features in the regulation and control of erythrocyte metabolism, many important aspects remain unexplained. In particular, none of these models have satisfactorily accounted for 2,3-bisphosphoglycerate (2,3-BPG) metabolism. 2,3-BPG is an important modulator of haemoglobin oxygen affinity, and hence an understanding of the regulation of 2,3-BPG concentration is important for understanding blood oxygen transport. A detailed, comprehensive, and hence realistic mathematical model of erythrocyte metabolism is presented that can explain the regulation and control of 2,3-BPG concentration and turnover. The model is restricted to the core metabolic pathways, namely glycolysis, the 2,3-BPG shunt and the pentose phosphate pathway (PPP), and includes membrane transport of metabolites, the binding of metabolites to haemoglobin and Mg(2+), as well as pH effects on key enzymic reactions and binding processes. The model is necessarily complex, since it is intended to describe the regulation and control of 2,3-BPG metabolism under a wide variety of physiological and experimental conditions. In addition, since H(+) and blood oxygen tension are important external effectors of 2,3-BPG concentration, it was important that the model take into account the large array of kinetic and binding phenomena that result from changes in these effectors. Through an iterative loop of experimental and simulation analysis many values of enzyme-kinetic parameters of the model were refined to yield close conformity between model simulations and 'real' experimental data. This iterative process enabled a single set of parameters to be found which described well the metabolic behaviour of the erythrocyte under a wide variety of conditions. PMID:10477269

7. Model of 2,3-bisphosphoglycerate metabolism in the human erythrocyte based on detailed enzyme kinetic equations: equations and parameter refinement.

PubMed Central

Mulquiney, P J; Kuchel, P W

1999-01-01

Over the last 25 years, several mathematical models of erythrocyte metabolism have been developed. Although these models have identified the key features in the regulation and control of erythrocyte metabolism, many important aspects remain unexplained. In particular, none of these models have satisfactorily accounted for 2,3-bisphosphoglycerate (2,3-BPG) metabolism. 2,3-BPG is an important modulator of haemoglobin oxygen affinity, and hence an understanding of the regulation of 2,3-BPG concentration is important for understanding blood oxygen transport. A detailed, comprehensive, and hence realistic mathematical model of erythrocyte metabolism is presented that can explain the regulation and control of 2,3-BPG concentration and turnover. The model is restricted to the core metabolic pathways, namely glycolysis, the 2,3-BPG shunt and the pentose phosphate pathway (PPP), and includes membrane transport of metabolites, the binding of metabolites to haemoglobin and Mg(2+), as well as pH effects on key enzymic reactions and binding processes. The model is necessarily complex, since it is intended to describe the regulation and control of 2,3-BPG metabolism under a wide variety of physiological and experimental conditions. In addition, since H(+) and blood oxygen tension are important external effectors of 2,3-BPG concentration, it was important that the model take into account the large array of kinetic and binding phenomena that result from changes in these effectors. Through an iterative loop of experimental and simulation analysis many values of enzyme-kinetic parameters of the model were refined to yield close conformity between model simulations and 'real' experimental data. This iterative process enabled a single set of parameters to be found which described well the metabolic behaviour of the erythrocyte under a wide variety of conditions. PMID:10477269

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

NASA Technical Reports Server (NTRS)

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

9. On the interpretation of the inverted kinetics equation and space-time calculations of the effectiveness of the VVER-1000 reactor scram system

NASA Astrophysics Data System (ADS)

Zizin, M. N.; Ivanov, L. D.

2013-12-01

In the present paper, an attempt is made to analyze the accuracy of calculating the effectiveness of the VVER-1000 reactor scram system by means of the inverted solution of the kinetics equation (ISKE). In the numerical studies in the intellectual ShIPR software system, the actuation of the reactor scram system with the possible jamming of one of the two most effective rods is simulated. First, the connection of functionals calculated in the space-time computation in different approximations with the kinetics equation is considered on the theoretical level. The formulas are presented in a manner facilitating their coding. Then, the results of processing of several such functions by the ISKE are presented. For estimating the effectiveness of the VVER-1000 reactor scram system, it is proposed to use the measured currents of ionization chambers (IC) jointly with calculated readings of IC imitators. In addition, the integral of the delayed neutron (DN) generation rate multiplied by the adjoint DN source over the volume of the reactor, calculated for the instant of time when insertion of safety rods ends, is used. This integral is necessary for taking into account the spatial reactivity effects. Reasonable agreement was attained for the considered example between the effectiveness of the scram system evaluated by this method and the values obtained by steady-state calculations as the difference of the reciprocal effective multiplication factors with withdrawn and inserted control rods. This agreement was attained with the use of eight-group DN parameters.

10. Solution of the Krook kinetic equation model and non-equilibrium thermodynamics of a rarefied gas affected by a non-linear thermal radiation field

NASA Astrophysics Data System (ADS)

Abourabia, Aly Maher; Wahid, Taha Zakaraia Abdel

2011-05-01

A new approach for studying the influence of a thermal radiation field upon a rarefied neutral gas is introduced. We insert the radiation field effect in the force term of the Boltzmann equation. In a frame co-moving with the fluid, the BGK (Bhatnager-Gross-Krook) model kinetic equation is applied analytically. The one-dimensional steady problem is studied using the Liu-Lees model. We apply the moment method to follow the behavior of the macroscopic properties of the gas, such as the temperature and concentration. They are substituted into the corresponding two-stream Maxwellian distribution functions, permitting the investigation of the non-equilibrium thermodynamic properties of the system (gas + heated plate). The entropy, entropy flux, entropy production, thermodynamic forces and the kinetic coefficients are obtained. We verify the celebrated Onsager reciprocity relations for the system. The ratios between the different contributions of the internal energy changes based upon the total derivatives of the extensive parameters are estimated via the Gibbs formula. The results are applied to the Helium gas for various radiation field intensities due to different plate temperatures. Figures illustrating the calculated variables are drawn to predict their behavior and the results are discussed.

11. Modeling and simulation of Streptomyces peucetius var. caesius N47 cultivation and epsilon-rhodomycinone production with kinetic equations and neural networks.

PubMed

Kiviharju, Kristiina; Salonen, Kalle; Leisola, Matti; Eerikäinen, Tero

2006-11-10

This study focuses on comparing different kinetic growth models and the use of neural networks in the batch cultivation of Streptomyces peucetius var. caesius producing epsilon-rhodomycinone. Contois, Monod and Teissier microbial growth models were used as well as the logistic growth modeling approach, which was found best in the simulations of growth and glucose consumption in the batch growth phase. The lag phase was included in the kinetic model with a CO2 trigger and a delay factor. Substrate consumption and product formation were included as Luedeking-Piret and logistic type equations, respectively. Biomass formation was modeled successfully with a 6-8-2 network, and the network was capable of biomass prediction with an R2-value of 0.983. Epsilon-rhodomycinone production was successfully modeled with a recursive 8-3-1 network capable of epsilon-rhodomycinone prediction with an R2-value of 0.903. The predictive power of the neural networks was superior to the kinetic models, which could not be used in predictive modeling of arbitrary batch cultivations. PMID:16797766

12. Extending the range of validity of Fourier's law into the kinetic transport regime via asymptotic solution of the phonon Boltzmann transport equation

NASA Astrophysics Data System (ADS)

Péraud, Jean-Philippe M.; Hadjiconstantinou, Nicolas G.

2016-01-01

We derive the continuum equations and boundary conditions governing phonon-mediated heat transfer in the limit of a small but finite mean-free path from the asymptotic solution of the linearized Boltzmann equation in the relaxation time approximation. Our approach uses the ratio of the mean-free path to the characteristic system length scale, also known as the Knudsen number, as the expansion parameter to study the effects of boundaries on the breakdown of the Fourier description. We show that, in the bulk, the traditional heat conduction equation using Fourier's law as a constitutive relation is valid at least up to second order in the Knudsen number for steady problems and first order for time-dependent problems. However, this description does not hold within distances on the order of a few mean-free paths from the boundary; this breakdown is a result of kinetic effects that are always present in the boundary vicinity and require solution of a Boltzmann boundary layer problem to be determined. Matching the inner, boundary layer solution to the outer, bulk solution yields boundary conditions for the Fourier description as well as additive corrections in the form of universal kinetic boundary layers; both are found to be proportional to the bulk-solution gradients at the boundary and parametrized by the material model and the phonon-boundary interaction model (Boltzmann boundary condition). Our derivation shows that the traditional no-jump boundary condition for prescribed temperature boundaries and the no-flux boundary condition for diffusely reflecting boundaries are appropriate only to zeroth order in the Knudsen number; at higher order, boundary conditions are of the jump type. We illustrate the utility of the asymptotic solution procedure by demonstrating that it can be used to predict the Kapitza resistance (and temperature jump) associated with an interface between two materials. All results are validated via comparisons with low-variance deviational Monte

13. Energy approach to kinetics equations for dislocations and twins and its application for high strain rate collision problems

NASA Astrophysics Data System (ADS)

Borodin, E. N.; Mayer, A. E.

2015-11-01

A computational plasticity model with accounting of coupled evolution of the dislocations and twins in metals under the dynamic loading is presented. The model is based on our previous results for the dislocation plasticity, but generalizes them and accounts mechanical twinning in addition. It includes equations of the mechanics of continua for elastic-plastic medium, where the plastic deformation tensor is determined through the structural defects evolution in the material. The model is self-consistent and allows determining of mechanical properties in wide range of strain rates and thermodynamic conditions as well as modification of the defect subsystems. The equations and parameters, its numerical implementation and some of obtained results are presented.

14. Direct discrete simulation of the kinetic Landau-Fokker-Planck equation with an alternating external electromagnetic field

NASA Astrophysics Data System (ADS)

Karpov, S. A.; Potapenko, I. F.

2015-10-01

A stochastic method of simulation of Coulomb interaction is considered. The main idea of the method is to approximate the nonlinear Landau kinetic collision integral by the Boltzmann integral. In its realization, the method can be attributed to a wide class of Monte Carlo-type methods. It is easily combined with the existing particle methods used to simulate collisionless plasmas. This is important for simulation of the dynamics of both laboratory and space plasmas when the mean free path of plasma particles is comparable with the plasma inhomogeneity scale length. Illustrative examples of relaxation of two-temperature plasma being subject to a high-frequency alternating electric field are given, and differences from their classical description are considered. The method satisfies the conservation laws for the number of particles, momentum, and energy and is simple and efficient in implementation.

15. Direct discrete simulation of the kinetic Landau-Fokker-Planck equation with an alternating external electromagnetic field

SciTech Connect

Karpov, S. A.; Potapenko, I. F.

2015-10-15

A stochastic method of simulation of Coulomb interaction is considered. The main idea of the method is to approximate the nonlinear Landau kinetic collision integral by the Boltzmann integral. In its realization, the method can be attributed to a wide class of Monte Carlo-type methods. It is easily combined with the existing particle methods used to simulate collisionless plasmas. This is important for simulation of the dynamics of both laboratory and space plasmas when the mean free path of plasma particles is comparable with the plasma inhomogeneity scale length. Illustrative examples of relaxation of two-temperature plasma being subject to a high-frequency alternating electric field are given, and differences from their classical description are considered. The method satisfies the conservation laws for the number of particles, momentum, and energy and is simple and efficient in implementation.

16. Solution of a kinetic equation for diatomic gas with the use of differential scattering cross sections computed by the method of classical trajectories

NASA Astrophysics Data System (ADS)

Anikin, Yu. A.; Dodulad, O. I.

2013-07-01

A collision integral is constructed taking into account the rotational degrees of freedom of the gas molecules. Its truncation error is shown to be second order in the rotational velocity mesh size. In the solution of the kinetic equation, the resulting collision integral is directly computed using a projection method. Preliminarily, the differential scattering cross sections of nitrogen molecules are computed by applying the method of classical trajectories. The resulting cross section values are tabulated in multimillion data arrays. The one-dimensional problems of shock wave structure and heat transfer between two plates are computed as tests, and the results are compared with experimental data. The convergence of the results with decreasing rotational velocity mesh size is analyzed.

17. Kinetic description of intense nonneutral beam propagation through a periodic solenoidal focusing field based on the nonlinear Vlasov-Maxwell equations

SciTech Connect

Davidson, R.C.; Chen, C.

1997-08-01

A kinetic description of intense nonneutral beam propagation through a periodic solenoidal focusing field B{sup sol}({rvec x}) is developed. The analysis is carried out for a thin beam with characteristic beam radius r{sub b} {much_lt} S, and directed axial momentum {gamma}{sub b}m{beta}{sub 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{sub 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{sub z}(z) = B{sub 0} = const. and for the case of a periodic solenoidal focusing field B{sub z}(z + S) = B{sub 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}{sup 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.

18. Effect of the adsorbate kinetic diameter on the accuracy of the Dubinin-Radushkevich equation for modeling adsorption of organic vapors on activated carbon.

PubMed

Jahandar Lashaki, Masoud; Fayaz, Mohammadreza; Niknaddaf, Saeid; Hashisho, Zaher

2012-11-30

This paper investigates the effect of the kinetic diameter (KD) of the reference adsorbate on the accuracy of the Dubinin-Radushkevich (D-R) equation for predicting the adsorption isotherms of organic vapors on microporous activated carbon. Adsorption isotherms for 13 organic compounds on microporous beaded activated carbon were experimentally measured, and predicted using the D-R model and affinity coefficients. The affinity coefficients calculated based on molar volumes, molecular polarizabilities, and molecular parachors were used to predict the isotherms based on four reference compounds (4.3≤KD≤6.8 Å). The results show that the affinity coefficients are independent of the calculation method if the reference and test adsorbates are from the same organic group. Choosing a reference adsorbate with a KD similar to that of the test adsorbate results in better prediction of the adsorption isotherm. The relative error between the predicted and the measured adsorption isotherms increases as the absolute difference in the kinetic diameters of the reference and test adsorbates increases. Finally, the proposed hypothesis was used to explain reports of inconsistent findings among published articles. The results from this study are important because they allow a more accurate prediction of adsorption capacities of adsorbents which allow for better design of adsorption systems. PMID:23044198

19. Stability of Planar Fronts for a Non-Local Phase Kinetics Equation with a Conservation Law in D ≤ 3

NASA Astrophysics Data System (ADS)

Carlen, Eric A.; Orlandi, Enza

2012-05-01

We consider, in a D-dimensional cylinder, a non-local evolution equation that describes the evolution of the local magnetization in a continuum limit of an Ising spin system with Kawasaki dynamics and Kac potentials. We consider sub-critical temperatures, for which there are two local spatially homogeneous equilibria, and show a local nonlinear stability result for the minimum free energy profiles for the magnetization at the interface between regions of these two different local equilibrium; i.e. the planar fronts: We show that an initial perturbation of a front that is sufficiently small in L2 norm, and sufficiently localized yields a solution that relaxes to another front, selected by a conservation law, in the L1 norm at an algebraic rate that we explicitly estimate. We also obtain rates for the relaxation in the L2 norm and the rate of decrease of the excess free energy.

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

NASA Astrophysics Data System (ADS)

Pöschl, U.; Rudich, Y.; Ammann, M.

2005-04-01

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 allows to describe mass transport and chemical reactions at the gas-particle interface and to link aerosol and cloud surface processes with gas phase and particle bulk processes in systems with multiple chemical components and competing physicochemical processes. The key elements and essential aspects of the presented framework are: a simple and descriptive double-layer surface model (sorption layer and quasi-static layer); straightforward flux-based mass balance and rate equations; clear separation of mass transport and chemical reactions; well-defined rate parameters (uptake and accommodation coefficients, reaction and transport rate coefficients); clear distinction between gas phase, gas-surface, and surface-bulk transport (gas phase diffusion correction, surface and bulk accommodation); clear distinction between gas-surface, surface layer, and surface-bulk reactions (Langmuir-Hinshelwood and Eley-Rideal mechanisms); mechanistic description of concentration and time dependencies; flexible inclusion/omission of chemical species and physicochemical processes; flexible convolution/deconvolution of species and processes; and full compatibility with traditional resistor model

1. The Chemical Master Equation Approach to Nonequilibrium Steady-State of Open Biochemical Systems: Linear Single-Molecule Enzyme Kinetics and Nonlinear Biochemical Reaction Networks

PubMed Central

Qian, Hong; Bishop, Lisa M.

2010-01-01

We develop the stochastic, chemical master equation as a unifying approach to the dynamics of biochemical reaction systems in a mesoscopic volume under a living environment. A living environment provides a continuous chemical energy input that sustains the reaction system in a nonequilibrium steady state with concentration fluctuations. We discuss the linear, unimolecular single-molecule enzyme kinetics, phosphorylation-dephosphorylation cycle (PdPC) with bistability, and network exhibiting oscillations. Emphasis is paid to the comparison between the stochastic dynamics and the prediction based on the traditional approach based on the Law of Mass Action. We introduce the difference between nonlinear bistability and stochastic bistability, the latter has no deterministic counterpart. For systems with nonlinear bistability, there are three different time scales: (a) individual biochemical reactions, (b) nonlinear network dynamics approaching to attractors, and (c) cellular evolution. For mesoscopic systems with size of a living cell, dynamics in (a) and (c) are stochastic while that with (b) is dominantly deterministic. Both (b) and (c) are emergent properties of a dynamic biochemical network; We suggest that the (c) is most relevant to major cellular biochemical processes such as epi-genetic regulation, apoptosis, and cancer immunoediting. The cellular evolution proceeds with transitions among the attractors of (b) in a “punctuated equilibrium” manner. PMID:20957107

2. Departures of the electron energy distribution from a Maxwellian in hydrogen. I - Formulation and solution of the electron kinetic equation. II - Consequences

NASA Technical Reports Server (NTRS)

Shoub, E. C.

1977-01-01

The problem of calculating the steady-state free-electron energy distribution in a hydrogen gas is considered in order to study departures of that distribution from a Maxwellian at sufficiently low degrees of ionization. A model kinetic equation is formulated and solved analytically for the one-particle electron distribution function in a steady-state partially ionized hydrogen gas, and it is shown that the formal solution can be accurately approximated by using the WKB method. The solutions obtained indicate that the high-energy tail of the distribution is susceptible to distortion by imbalanced inelastic collisions for ionization fractions not exceeding about 0.1 and that such departures from a Maxwellian can lead to significant changes in the collisional excitation and ionization rates of ground-state hydrogen atoms. Expressions for the electron-hydrogen collision rates are derived which explicitly display their dependence on the hydrogen departure coefficients. The results are applied in order to compare self-consistent predictions with those based on the a priori assumption of a Maxwellian distribution for models of the thermal ionization equilibrium of hydrogen in the optically thin limit, spectral-line formation by a gas consisting of two-level atoms, and radiative transfer in finite slabs by a gas of four-level hydrogen atoms.

3. A realizability-preserving discontinuous Galerkin scheme for entropy-based moment closures for linear kinetic equations in one space dimension

NASA Astrophysics Data System (ADS)

Alldredge, Graham; Schneider, Florian

2015-08-01

We implement a high-order numerical scheme for the entropy-based moment closure, the so-called MN model, for linear kinetic equations in slab geometry. A discontinuous Galerkin (DG) scheme in space along with a strong-stability preserving Runge-Kutta time integrator is a natural choice to achieve a third-order scheme, but so far, the challenge for such a scheme in this context is the implementation of a linear scaling limiter when the numerical solution leaves the set of realizable moments (that is, those moments associated with a positive underlying distribution). The difficulty for such a limiter lies in the computation of the intersection of a ray with the set of realizable moments. We avoid this computation by using quadrature to generate a convex polytope which approximates this set. The half-space representation of this polytope is used to compute an approximation of the required intersection straightforwardly, and with this limiter in hand, the rest of the DG scheme is constructed using standard techniques. We consider the resulting numerical scheme on a new manufactured solution and standard benchmark problems for both traditional MN models and the so-called mixed-moment models. The manufactured solution allows us to observe the expected convergence rates and explore the effects of the regularization in the optimization.

4. The chemical master equation approach to nonequilibrium steady-state of open biochemical systems: linear single-molecule enzyme kinetics and nonlinear biochemical reaction networks.

PubMed

Qian, Hong; Bishop, Lisa M

2010-01-01

We develop the stochastic, chemical master equation as a unifying approach to the dynamics of biochemical reaction systems in a mesoscopic volume under a living environment. A living environment provides a continuous chemical energy input that sustains the reaction system in a nonequilibrium steady state with concentration fluctuations. We discuss the linear, unimolecular single-molecule enzyme kinetics, phosphorylation-dephosphorylation cycle (PdPC) with bistability, and network exhibiting oscillations. Emphasis is paid to the comparison between the stochastic dynamics and the prediction based on the traditional approach based on the Law of Mass Action. We introduce the difference between nonlinear bistability and stochastic bistability, the latter has no deterministic counterpart. For systems with nonlinear bistability, there are three different time scales: (a) individual biochemical reactions, (b) nonlinear network dynamics approaching to attractors, and (c) cellular evolution. For mesoscopic systems with size of a living cell, dynamics in (a) and (c) are stochastic while that with (b) is dominantly deterministic. Both (b) and (c) are emergent properties of a dynamic biochemical network; We suggest that the (c) is most relevant to major cellular biochemical processes such as epi-genetic regulation, apoptosis, and cancer immunoediting. The cellular evolution proceeds with transitions among the attractors of (b) in a "punctuated equilibrium" manner. PMID:20957107

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

NASA Astrophysics Data System (ADS)

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

6. STOMP Subsurface Transport Over Multiple Phases Version 1.0 Addendum: ECKEChem Equilibrium-Conservation-Kinetic Equation Chemistry and Reactive Transport

SciTech Connect

White, Mark D.; McGrail, B. Peter

2005-12-01

flow and transport simulator, STOMP (Subsurface Transport Over Multiple Phases). Prior to these code development activities, the STOMP simulator included sequential and scalable implementations for numerically simulating the injection of supercritical CO2 into deep saline aquifers. Additionally, the sequential implementations included operational modes that considered nonisothermal conditions and kinetic dissolution of CO2 into the saline aqueous phase. This addendum documents the advancement of these numerical simulation capabilities to include reactive transport in the STOMP simulator through the inclusion of the recently PNNL developed batch geochemistry solution module ECKEChem (Equilibrium-Conservation-Kinetic Equation Chemistry). Potential geologic reservoirs for sequestering CO2 include deep saline aquifers, hydrate-bearing formations, depleted or partially depleted natural gas and petroleum reservoirs, and coal beds. The mechanisms for sequestering carbon dioxide in geologic reservoirs include physical trapping, dissolution in the reservoir fluids, hydraulic trapping (hysteretic entrapment of nonwetting fluids), and chemical reaction. This document and the associated code development and verification work are concerned with the chemistry of injecting CO2 into geologic reservoirs. As geologic sequestration of CO2 via chemical reaction, namely precipitation reactions, are most dominate in deep saline aquifers, the principal focus of this document is the numerical simulation of CO2 injection, migration, and geochemical reaction in deep saline aquifers. The ECKEChem batch chemistry module was developed in a fashion that would allow its implementation into all operational modes of the STOMP simulator, making it a more versatile chemistry component. Additionally, this approach allows for verification of the ECKEChem module against more classical reactive transport problems involving aqueous systems.

7. Brownian motion from Boltzmann's equation.

NASA Technical Reports Server (NTRS)

Montgomery, D.

1971-01-01

Two apparently disparate lines of inquiry in kinetic theory are shown to be equivalent: (1) Brownian motion as treated by the (stochastic) Langevin equation and Fokker-Planck equation; and (2) Boltzmann's equation. The method is to derive the kinetic equation for Brownian motion from the Boltzmann equation for a two-component neutral gas by a simultaneous expansion in the density and mass ratios.

8. O2(a1Δg) + Mg, Fe, and Ca: Experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping

NASA Astrophysics Data System (ADS)

Plane, J. M. C.; Whalley, C. L.; Frances-Soriano, L.; Goddard, A.; Harvey, J. N.; Glowacki, D. R.; Viggiano, A. A.

2012-07-01

utilized density functional theory along with multireference and explicitly correlated CCSD(T)-F12 electronic structure calculations to examine the lowest lying singlet and triplet surfaces. In addition to mapping stationary points, we used a genetic algorithm to locate minimum energy crossing points between the two surfaces. Simulations of the Ca + O2(a) kinetics were then carried out using a combination of both standard and non-adiabatic Rice-Ramsperger-Kassel-Marcus (RRKM) theory implemented within a weak collision, multiwell master equation model. In terms of atmospheric significance, only in the case of Ca does reaction with O2(a) compete with O3 during the daytime between 85 and 110 km.

9. A comparative examination of the adsorption mechanism of an anionic textile dye (RBY 3GL) onto the powdered activated carbon (PAC) using various the isotherm models and kinetics equations with linear and non-linear methods

NASA Astrophysics Data System (ADS)

Açıkyıldız, Metin; Gürses, Ahmet; Güneş, Kübra; Yalvaç, Duygu

2015-11-01

The present study was designed to compare the linear and non-linear methods used to check the compliance of the experimental data corresponding to the isotherm models (Langmuir, Freundlich, and Redlich-Peterson) and kinetics equations (pseudo-first order and pseudo-second order). In this context, adsorption experiments were carried out to remove an anionic dye, Remazol Brillant Yellow 3GL (RBY), from its aqueous solutions using a commercial activated carbon as a sorbent. The effects of contact time, initial RBY concentration, and temperature onto adsorbed amount were investigated. The amount of dye adsorbed increased with increased adsorption time and the adsorption equilibrium was attained after 240 min. The amount of dye adsorbed enhanced with increased temperature, suggesting that the adsorption process is endothermic. The experimental data was analyzed using the Langmuir, Freundlich, and Redlich-Peterson isotherm equations in order to predict adsorption isotherm. It was determined that the isotherm data were fitted to the Langmuir and Redlich-Peterson isotherms. The adsorption process was also found to follow a pseudo second-order kinetic model. According to the kinetic and isotherm data, it was found that the determination coefficients obtained from linear method were higher than those obtained from non-linear method.

10. Two-dimensional equations of the surface harmonics method for solving problems of spatial neutron kinetics in square-lattice reactors

SciTech Connect

Boyarinov, V. F. Kondrushin, A. E. Fomichenko, P. A.

2014-12-15

Two-dimensional time-dependent finite-difference equations of the surface harmonics method (SHM) for the description of the neutron transport are derived for square-lattice reactors. These equations are implemented in the SUHAM-TD code. Verification of the derived equations and the developed code are performed by the example of known test problems, and the potential and efficiency of the SHM as applied to the solution of the time-dependent neutron transport equation in the diffusion approximation in two-dimensional geometry are demonstrated. These results show the substantial advantage of SHM over direct finite-difference modeling in computational costs.

11. Two-dimensional equations of the surface harmonics method for solving problems of spatial neutron kinetics in square-lattice reactors

NASA Astrophysics Data System (ADS)

Boyarinov, V. F.; Kondrushin, A. E.; Fomichenko, P. A.

2014-12-01

Two-dimensional time-dependent finite-difference equations of the surface harmonics method (SHM) for the description of the neutron transport are derived for square-lattice reactors. These equations are implemented in the SUHAM-TD code. Verification of the derived equations and the developed code are performed by the example of known test problems, and the potential and efficiency of the SHM as applied to the solution of the time-dependent neutron transport equation in the diffusion approximation in two-dimensional geometry are demonstrated. These results show the substantial advantage of SHM over direct finite-difference modeling in computational costs.

12. Solving Simple Kinetics without Integrals

ERIC Educational Resources Information Center

de la Pen~a, Lisandro Herna´ndez

2016-01-01

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

13. Spatial kinetics in fast reactors

NASA Astrophysics Data System (ADS)

Seleznev, E. F.; Belov, A. A.; Panova, I. S.; Matvienko, I. P.; Zhukov, A. M.

2013-12-01

The analysis of the solution to the spatial nonstationary equation of neutron transport is presented by the example of a fast reactor. Experiments in spatial kinetics conducted recently at the complex of critical assemblies (fast physical stand) and computations of their data using the TIMER code (for solving the nonstationary equation in multidimensional diffusion approximation for direct and inverse problems of reactor kinetics) have shown that kinetics of fast reactors substantially differs from kinetics of thermal reactors. The difference is connected with influence of the delayed neutron spectrum on rates of the process in a fast reactor.

14. Nuclear Reactor Kinetics and Control.

SciTech Connect

JEFFERY,; LEWINS, D.

2009-07-27

Version 00 Dr. J.D. Lewins has now released the following legacy book for free distribution: Nuclear Reactor Kinetics and Control, Pergamon Press, London, 275 pages, 1978. 1. Introductory Review 2. Neutron and Precursor Equations 3. Elementary Solutions of the Kinetics Equations at Low Power 4. Linear Reactor Process Dynamics with Feedback 5. Power Reactor Control Systems 6. Fluctuations and Reactor Noise 7. Safety and Reliability 8. Non Linear Systems; Stability and Control 9. Analogue Computing Addendum: Jay Basken and Jeffery D. Lewins: Power Series Solution of the Reactor Kinetics Equations, Nuclear Science and Engineering: 122, 407-436 (1996) (authorized for distribution with the book: courtesy of the American Nuclear Society)

15. Algebraic Rate of Decay for the Excess Free Energy and Stability of Fronts for a Nonlocal Phase Kinetics Equation with a Conservation Law. I

NASA Astrophysics Data System (ADS)

Carlen, E. A.; Carvalho, M. C.; Orlandi, E.

1999-06-01

This is the first of two papers devoted to the study of a nonlocal evolution equation that describes the evolution of the local magnetization in a continuum limit of an Ising spin system with Kawasaki dynamics and Kac potentials. We consider subcritical temperatures, for which there are two local equilibria, and begin the proof of a local nonlinear stability result for the minimum free energy profiles for the magnetization at the interface between regions of these two different local equilibria; i.e., the fronts. We shall show in the second paper that an initial perturbation v 0 of a front that is sufficiently small in L 2 norm, and sufficiently localized that ∫ x 2 v 0( x)2 dx<∞, yields a solution that relaxes to another front, selected by a conservation law, in the L 1 norm at an algebraic rate that we explicitly estimate. There we also obtain rates for the relaxation in the L 2 norm and the rate of decrease of the excess free energy. Here we prove a number of estimates essential for this result. Moreover, the estimates proved here suffice to establish the main result in an important special case.

16. Enskog-like kinetic models for vehicular traffic

SciTech Connect

Klar, A.; Wegener, R.

1997-04-01

In the present paper a general criticism of kinetic equations for vehicular traffic is given. The necessity of introducing an Enskog-type correction into these equations is shown. An Enskog-like kinetic traffic flow equation is presented and fluid dynamic equations are derived. This derivation yields new coefficients for the standard fluid dynamic equations of vehicular traffic. Numerical simulations for inhomogeneous traffic flow situations are shown together with a comparison between kinetic and fluid dynamics models.

17. Kinetic Demonstration.

ERIC Educational Resources Information Center

Burgardt, Erik D.; Ryan, Hank

1996-01-01

Presents a unit on chemical reaction kinetics that consists of a predemonstration activity, the demonstration, and a set of postdemonstration activities that help students transfer the concepts to actual chemical reactions. Simulates various aspects of chemical reaction kinetics. (JRH)

18. Kinetic Atom.

ERIC Educational Resources Information Center

Wilson, David B.

1981-01-01

Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

19. Enzyme Kinetics.

ERIC Educational Resources Information Center

Moe, Owen; Cornelius, Richard

1988-01-01

Conveys an appreciation of enzyme kinetic analysis by using a practical and intuitive approach. Discusses enzyme assays, kinetic models and rate laws, the kinetic constants (V, velocity, and Km, Michaels constant), evaluation of V and Km from experimental data, and enzyme inhibition. (CW)

20. A Kinetic-fluid Model

SciTech Connect

First Author = C.Z. Cheng; Jay R. Johnson

1998-07-10

A nonlinear kinetic-fluid model for high-beta plasmas with multiple ion species which can be applied to multiscale phenomena is presented. The model embeds important kinetic effects due to finite ion Larmor radius (FLR), wave-particle resonances, magnetic particle trapping, etc. in the framework of simple fluid descriptions. When further restricting to low frequency phenomena with frequencies less than the ion cyclotron frequency the kinetic-fluid model takes a simpler form in which the fluid equations of multiple ion species collapse into single-fluid density and momentum equations and a low frequency generalized Ohm's law. The kinetic effects are introduced via plasma pressure tensors for ions and electrons which are computed from particle distribution functions that are governed by the Vlasov equation or simplified plasma dynamics equations such as the gyrokinetic equation. The ion FLR effects provide a finite parallel electric field, a perpendicular velocity that modifies the ExB drift, and a gyroviscosity tensor, all of which are neglected in the usual one-fluid MHD description. Eigenmode equations are derived which include magnetosphere-ionosphere coupling effects for low frequency waves (e.g., kinetic/inertial Alfven waves and ballooning-mirror instabilities).

1. Nonlinear gyrokinetic equations

SciTech Connect

Dubin, D.H.E.; Krommes, J.A.; Oberman, C.; Lee, W.W.

1983-03-01

Nonlinear gyrokinetic equations are derived from a systematic Hamiltonian theory. The derivation employs Lie transforms and a noncanonical perturbation theory first used by Littlejohn for the simpler problem of asymptotically small gyroradius. For definiteness, we emphasize the limit of electrostatic fluctuations in slab geometry; however, there is a straight-forward generalization to arbitrary field geometry and electromagnetic perturbations. An energy invariant for the nonlinear system is derived, and various of its limits are considered. The weak turbulence theory of the equations is examined. In particular, the wave kinetic equation of Galeev and Sagdeev is derived from an asystematic truncation of the equations, implying that this equation fails to consider all gyrokinetic effects. The equations are simplified for the case of small but finite gyroradius and put in a form suitable for efficient computer simulation. Although it is possible to derive the Terry-Horton and Hasegawa-Mima equations as limiting cases of our theory, several new nonlinear terms absent from conventional theories appear and are discussed.

2. Nuclear Reactor Kinetics and Control.

Energy Science and Technology Software Center (ESTSC)

2009-07-27

Version 00 Dr. J.D. Lewins has now released the following legacy book for free distribution: Nuclear Reactor Kinetics and Control, Pergamon Press, London, 275 pages, 1978. 1. Introductory Review 2. Neutron and Precursor Equations 3. Elementary Solutions of the Kinetics Equations at Low Power 4. Linear Reactor Process Dynamics with Feedback 5. Power Reactor Control Systems 6. Fluctuations and Reactor Noise 7. Safety and Reliability 8. Non Linear Systems; Stability and Control 9. Analogue Computingmore » Addendum: Jay Basken and Jeffery D. Lewins: Power Series Solution of the Reactor Kinetics Equations, Nuclear Science and Engineering: 122, 407-436 (1996) (authorized for distribution with the book: courtesy of the American Nuclear Society)« less

3. Kinetic theory of vehicular traffic

NASA Astrophysics Data System (ADS)

Iannini, M. L. L.; Dickman, Ronald

2016-02-01

We review the kinetic theory of traffic proposed by Prigogine and Herman in which the Boltzmann equation is adapted to vehicular traffic. The kinetic equation and its solution are discussed, and a novel distribution of desired velocities that is more suitable for describing real traffic conditions is analyzed. We also study the stationary velocity distribution at the transition between individual and collective flow patterns. At this transition, the distribution splits into a smoothly varying regular part, in which vehicles have nonzero velocities, and a singular one, corresponding to stopped vehicles. Computational methods for obtaining the stationary velocity distribution and the full space-time evolution of the vehicular distribution are explained.

4. Relativistic kinetic theory of magnetoplasmas

SciTech Connect

Beklemishev, Alexei; Nicolini, Piero; Tessarotto, Massimo

2005-05-16

Recently, an increasing interest in astrophysical as well as laboratory plasmas has been manifested in reference to the existence of relativistic flows, related in turn to the production of intense electric fields in magnetized systems. Such phenomena require their description in the framework of a consistent relativistic kinetic theory, rather than on relativistic MHD equations, subject to specific closure conditions. The purpose of this work is to apply the relativistic single-particle guiding-center theory developed by Beklemishev and Tessarotto, including the nonlinear treatment of small-wavelength EM perturbations which may naturally arise in such systems. As a result, a closed set of relativistic gyrokinetic equations, consisting of the collisionless relativistic kinetic equation, expressed in hybrid gyrokinetic variables, and the averaged Maxwell's equations, is derived for an arbitrary four-dimensional coordinate system.

5. Kinetics of reactive wetting

SciTech Connect

Yost, F.G.

2000-04-14

The importance of interfacial processes in materials joining has a long history. A significant amount of work has suggested that processes collateral to wetting can affect the extent of wetting and moderate or retard wetting rate. Even very small additions of a constituent, known to react with the substrate, cause pronounced improvement in wetting and are exploited in braze alloys, especially those used for joining to ceramics. In the following a model will be constructed for the wetting kinetics of a small droplet of metal containing a constituent that diffuses to the wetting line and chemically reacts with a flat, smooth substrate. The model is similar to that of Voitovitch et al. and Mortensen et al. but incorporates chemical reaction kinetics such that the result contains both diffusion and reaction kinetics. The model is constructed in the circular cylinder coordinate system, satisfies the diffusion equation under conditions of slow flow, and considers diffusion and reaction at the wetting line to be processes in series. This is done by solving the diffusion equation with proper initial and boundary conditions, computing the diffusive flux at the wetting line, and equating this to both the convective flux and reaction flux. This procedure is similar to equating the current flowing in components of a series circuit. The wetting rate will be computed versus time for a variety of diffusion and reaction conditions. A transition is observed from nonlinear (diffusive) to linear (reactive) behavior as the control parameters (such as the diffusion coefficient) are modified. This is in agreement with experimental observations. The adequacy of the slow flow condition, used in this type of analysis, is discussed and an amended procedure is suggested.

6. Multiflow approach to plasma kinetics

SciTech Connect

Ignatov, A. M.

2015-10-15

Instead of the commonly used Vlasov equation, one is able to treat kinetic phenomena in collisionless plasma with the help of the infinite set of hydrodynamic equations. The present paper deals with the linear approximation of multiflow hydrodynamics. It is shown that single-particle and collective excitations analogous to Van Kampen waves are explicitly separated. Expressions for the energy of all eigenmodes are obtained.

7. Analytic solutions of the relativistic Boltzmann equation

NASA Astrophysics Data System (ADS)

Hatta, Yoshitaka; Martinez, Mauricio; Xiao, Bo-Wen

2015-04-01

We present new analytic solutions to the relativistic Boltzmann equation within the relaxation time approximation. We first obtain spherically expanding solutions which are the kinetic counterparts of the exact solutions of the Israel-Stewart equation in the literature. This allows us to compare the solutions of the kinetic and hydrodynamic equations at an analytical level. We then derive a novel boost-invariant solution of the Boltzmann equation which has an unconventional dependence on the proper time. The existence of such a solution is also suggested in second-order hydrodynamics and fluid-gravity correspondence.

8. Kinetics of Reactive Wetting

SciTech Connect

YOST, FREDERICK G.

1999-09-09

The importance of interfacial processes in materials joining has a long history. A significant amount of work has suggested that processes collateral to wetting can affect the extent of wetting and moderate or retard wetting rate. Even very small additions of a constituent, known to react with the substrate, cause pronounced improvement in wetting and are exploited in braze alloys, especially those used for joining to ceramics. The wide diversity of processes, such as diffusion, chemical reaction, and fluxing, and their possible combinations suggest that various rate laws should be expected for wetting kinetics depending on the controlling processes. These rate laws are expected to differ crucially from the standard fluid controlled wetting models found in the literature. Voitovitch et al. and Mortensen et al. have shown data that suggests diffusion control for some systems and reaction control for others. They also presented a model of wetting kinetics controlled by the diffusion of a constituent contained by the wetting fluid. In the following a model will be constructed for the wetting kinetics of a small droplet of metal containing a constituent that diffuses to the wetting line and chemically reacts with a flat, smooth substrate. The model is similar to that of Voitovitch et al. and Mortensen et al. but incorporates chemical reaction kinetics such that the result contains both diffusion and reaction kinetics. The model is constructed in the circular cylinder coordinate system, satisfies the diffusion equation under conditions of slow flow, and considers diffusion and reaction at the wetting line to be processes in series. This is done by solving the diffusion equation with proper initial and boundary conditions, computing the diffusive flux at the wetting line and equating this to both the convective flux and reaction flux. This procedure is similar to equating the current flowing in components of a series circuit. The wetting rate will be computed versus time

9. THE BERNOULLI EQUATION AND COMPRESSIBLE FLOW THEORIES

EPA Science Inventory

The incompressible Bernoulli equation is an analytical relationship between pressure, kinetic energy, and potential energy. As perhaps the simplest and most useful statement for describing laminar flow, it buttresses numerous incompressible flow models that have been developed ...

10. O{sub 2}(a{sup 1}{Delta}{sub g}) + Mg, Fe, and Ca: Experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping

SciTech Connect

Plane, J. M. C.; Whalley, C. L.; Goddard, A.; Frances-Soriano, L.; Harvey, J. N.; Glowacki, D. R.; Viggiano, A. A.

2012-07-07

complex, suggesting that this reaction proceeds mostly by near-resonant electronic energy transfer to Fe(a{sup 5}F) + O{sub 2}(X). The reaction of Ca + O{sub 2}(a) occurs in an intermediate regime with two competing pressure dependent channels: (1) a recombination to produce CaO{sub 2}({sup 1}A{sub 1}), and (2) a singlet/triplet non-adiabatic hopping channel leading to CaO + O({sup 3}P). In order to interpret the Ca + O{sub 2}(a) results, we utilized density functional theory along with multireference and explicitly correlated CCSD(T)-F12 electronic structure calculations to examine the lowest lying singlet and triplet surfaces. In addition to mapping stationary points, we used a genetic algorithm to locate minimum energy crossing points between the two surfaces. Simulations of the Ca + O{sub 2}(a) kinetics were then carried out using a combination of both standard and non-adiabatic Rice-Ramsperger-Kassel-Marcus (RRKM) theory implemented within a weak collision, multiwell master equation model. In terms of atmospheric significance, only in the case of Ca does reaction with O{sub 2}(a) compete with O{sub 3} during the daytime between 85 and 110 km.

11. Mass Conservation and Chemical Kinetics.

ERIC Educational Resources Information Center

Barbara, Thomas M.; Corio, P. L.

1980-01-01

Presents a method for obtaining all mass conservation conditions implied by a given mechanism in which the conditions are used to simplify integration of the rate equations and to derive stoichiometric relations. Discusses possibilities of faulty inference of kinetic information from a given stoichiometry. (CS)

12. Teaching Equations.

ERIC Educational Resources Information Center

Nibbelink, William H.

1990-01-01

Proposed is a gradual transition from arithmetic to the idea of an equation with variables in the elementary grades. Vertical and horizontal formats of open sentences, the instructional sequence, vocabulary, and levels of understanding are discussed in this article. (KR)

13. Nucleation and growth transformation kinetics

NASA Astrophysics Data System (ADS)

Erukhimovitch, V.; Baram, J.

1995-03-01

As a result of the reassessment of the Kolmogorov-Johnson-Mehl-Avrami (KJMA) theory for the kinetics of nucleation and growth transformations, an integral-equation formulation has been developed instead of the well-known and widely used Avrami equation. The presented formulation considers interfacial and diffusional growths, in one, two, and three dimensions, with both time-dependent and time-invariant nucleation and growth rates. The integral-equation model corrects reported inadequacies of the KJMA theory when applied in numerous experiments and various solid-state transformations. It is shown that in the example cases examined in this paper, crystallization from the amorphous state in melt-spun ribbons, isothermal aging of CuAlZn, pearlitic transition in an eutectoid steel, and crystallization in a PEKK polymer, the thermodynamic and kinetic interpretation and parameters extracted from best fits of the Avrami equations to the experimental data are erroneous. The KJMA formulation is a simplification of the real physical conditions. The main limitation of the new model is that almost all the integral equations representing the kinetics of solid-state transformations have no analytical solutions.

14. Chemical kinetics of geminal recombination

SciTech Connect

Levin, P.P.; Khudyakov, I.V.; Brin, E.F.; Kuz'min, V.A.

1988-09-01

The kinetics of geminal recombination of triplet radical pairs formed in photoreduction of benzophenone by p-cresol in glycerin solution was studied by pulsed laser photolysis. The experiments were conducted at several temperatures and in a constant magnetic field of H = 0.34 T. The parameters in six kinetic equations describing geminal recombination were determined with a computer. The values of the sums of the squares of the residual deviations of the approximation were obtained. It was found that the kinetics are best described by the functions proposed by Noyes and Shushin. It was shown that it is necessary to use the mutual diffusion coefficient of the radicals, which is significantly smaller than the sum of the estimations of the experimental values of the radical diffusion coefficients, for describing the kinetics due to the correlations of the molecular motions of the radicals in the cage.

15. Population kinetics in dense plasmas

SciTech Connect

Schlanges, M.; Bornath, T.; Prenzel, R.; Kremp, D.

1996-07-01

Starting from quantum kinetic equations, rate equations for the number densities of the different atomic states and equations for the energy density are derived which are valid for dense nonideal plasmas. Statistical expressions are presented for the rate coefficients taking into account many-body effects as dynamical screening, lowering of the ionization energy and Pauli-blocking. Based on these generalized expressions, the coefficients of impact ionization, three-body recombination, excitation and deexcitation are calculated for nonideal hydrogen and carbon plasmas. As a result, higher ionization and recombination rates are obtained in the dense plasma region. The influence of the many-body effects on the population kinetics, including density and temperature relaxation, is shown then for a dense hydrogen plasma. {copyright} {ital 1996 American Institute of Physics.}

16. Aerosol kinetic code "AERFORM": Model, validation and simulation results

NASA Astrophysics Data System (ADS)

Gainullin, K. G.; Golubev, A. I.; Petrov, A. M.; Piskunov, V. N.

2016-06-01

The aerosol kinetic code "AERFORM" is modified to simulate droplet and ice particle formation in mixed clouds. The splitting method is used to calculate condensation and coagulation simultaneously. The method is calibrated with analytic solutions of kinetic equations. Condensation kinetic model is based on cloud particle growth equation, mass and heat balance equations. The coagulation kinetic model includes Brownian, turbulent and precipitation effects. The real values are used for condensation and coagulation growth of water droplets and ice particles. The model and the simulation results for two full-scale cloud experiments are presented. The simulation model and code may be used autonomously or as an element of another code.

17. A Gas-Kinetic Scheme for Reactive Flows

NASA Technical Reports Server (NTRS)

Lian,Youg-Sheng; Xu, Kun

1998-01-01

In this paper, the gas-kinetic BGK scheme for the compressible flow equations is extended to chemical reactive flow. The mass fraction of the unburnt gas is implemented into the gas kinetic equation by assigning a new internal degree of freedom to the particle distribution function. The new variable can be also used to describe fluid trajectory for the nonreactive flows. Due to the gas-kinetic BGK model, the current scheme basically solves the Navier-Stokes chemical reactive flow equations. Numerical tests validate the accuracy and robustness of the current kinetic method.

18. Beautiful equations

NASA Astrophysics Data System (ADS)

Viljamaa, Panu; Jacobs, J. Richard; Chris; JamesHyman; Halma, Matthew; EricNolan; Coxon, Paul

2014-07-01

In reply to a Physics World infographic (part of which is given above) about a study showing that Euler's equation was deemed most beautiful by a group of mathematicians who had been hooked up to a functional magnetic-resonance image (fMRI) machine while viewing mathematical expressions (14 May, http://ow.ly/xHUFi).

19. Production of a sterile species: Quantum kinetics

SciTech Connect

Ho, Chiu Man; Boyanovsky, D.; Ho, C.M.

2007-04-23

Production of a sterile species is studied within an effective model of active-sterile neutrino mixing in a medium in thermal equilibrium. The quantum kinetic equations for the distribution functions and coherences are obtained from two independent methods: the effective action and the quantum master equation. The decoherence time scale for active-sterile oscillations is tau(dec)=2/Gamma(aa), but the evolution of the distribution functions is determined by the two different time scales associated with the damping rates of the quasiparticle modes in the medium: Gamma(1)=Gamma(aa)cos^2theta(m); Gamma(2)=Gamma(aa)sin^2theta(m) where Gamma(aa) is the interaction rate of the active species in the absence of mixing and theta(m) the mixing angle in the medium. These two time scales are widely different away from Mikheyev-Smirnov-Wolfenstein resonances and preclude the kinetic description of active-sterile production in terms of a simple rate equation. We give the complete set of quantum kinetic equations for the active and sterile populations and coherences and discuss in detail the various approximations. A generalization of the active-sterile transition probability in a medium is provided via the quantum master equation. We derive explicitly the usual quantum kinetic equations in terms of the"polarization vector" and show their equivalence to those obtained from the quantum master equation and effective action.

20. Marcus equation

DOE R&D Accomplishments Database

1998-09-21

In the late 1950s to early 1960s Rudolph A. Marcus developed a theory for treating the rates of outer-sphere electron-transfer reactions. Outer-sphere reactions are reactions in which an electron is transferred from a donor to an acceptor without any chemical bonds being made or broken. (Electron-transfer reactions in which bonds are made or broken are referred to as inner-sphere reactions.) Marcus derived several very useful expressions, one of which has come to be known as the Marcus cross-relation or, more simply, as the Marcus equation. It is widely used for correlating and predicting electron-transfer rates. For his contributions to the understanding of electron-transfer reactions, Marcus received the 1992 Nobel Prize in Chemistry. This paper discusses the development and use of the Marcus equation. Topics include self-exchange reactions; net electron-transfer reactions; Marcus cross-relation; and proton, hydride, atom and group transfers.

1. Marcus equation

SciTech Connect

1998-11-01

In the late 1950s to early 1960s Rudolph A. Marcus developed a theory for treating the rates of outer-sphere electron-transfer reactions. Outer-sphere reactions are reactions in which an electron is transferred from a donor to an acceptor without any chemical bonds being made or broken. (Electron-transfer reactions in which bonds are made or broken are referred to as inner-sphere reactions.) Marcus derived several very useful expressions, one of which has come to be known as the Marcus cross-relation or, more simply, as the Marcus equation. It is widely used for correlating and predicting electron-transfer rates. For his contributions to the understanding of electron-transfer reactions, Marcus received the 1992 Nobel Prize in Chemistry. This paper discusses the development and use of the Marcus equation. Topics include self-exchange reactions; net electron-transfer reactions; Marcus cross-relation; and proton, hydride, atom and group transfers.

2. Busulfan kinetics.

PubMed

Ehrsson, H; Hassan, M; Ehrnebo, M; Beran, M

1983-07-01

Busulfan kinetics were studied in patients with chronic myelocytic leukemia after oral doses of 2, 4, and 6 mg. The plasma concentration-time data could be fitted to a zero-order absorption one-compartment open model. The elimination rate constant averaged 0.27 +/- 0.05 hr-1 (SD). The plasma AUC was linearly related to the dose. The lag time for the start of absorption, the time absorption ends, and the absorption rate constant showed some interindividual variations. About 1% of busulfan is excreted unchanged in urine over 24 hr. PMID:6574831

3. Group-kinetic theory of turbulence

NASA Technical Reports Server (NTRS)

Tchen, C. M.

1986-01-01

The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.

4. Tolrestat kinetics

SciTech Connect

Hicks, D.R.; Kraml, M.; Cayen, M.N.; Dubuc, J.; Ryder, S.; Dvornik, D.

1984-10-01

The kinetics of tolrestat, a potent inhibitor of aldose reductase, were examined. Serum concentrations of tolrestat and of total /sup 14/C were measured after dosing normal subjects and subjects with diabetes with /sup 14/C-labeled tolrestat. In normal subjects, tolrestat was rapidly absorbed and disappearance from serum was biphasic. Distribution and elimination t 1/2s were approximately 2 and 10 to 12 hr, respectively, after single and multiple doses. Unchanged tolrestat accounted for the major portion of /sup 14/C in serum. Radioactivity was rapidly and completely excreted in urine and feces in an approximate ratio of 2:1. Findings were much the same in subjects with diabetes. In normal subjects, the kinetics of oral tolrestat were independent of dose in the 10 to 800 mg range. Repetitive dosing did not result in unexpected cumulation. Tolrestat was more than 99% bound to serum protein; it did not compete with warfarin for binding sites but was displaced to some extent by high concentrations of tolbutamide or salicylate.

5. On fast reactor kinetics studies

SciTech Connect

Seleznev, E. F.; Belov, A. A.; Matveenko, I. P.; Zhukov, A. M.; Raskach, K. F.

2012-07-01

The results and the program of fast reactor core time and space kinetics experiments performed and planned to be performed at the IPPE critical facility is presented. The TIMER code was taken as computation support of the experimental work, which allows transient equations to be solved in 3-D geometry with multi-group diffusion approximation. The number of delayed neutron groups varies from 6 to 8. The code implements the solution of both transient neutron transfer problems: a direct one, where neutron flux density and its derivatives, such as reactor power, etc, are determined at each time step, and an inverse one for the point kinetics equation form, where such a parameter as reactivity is determined with a well-known reactor power time variation function. (authors)

6. Consistent lattice Boltzmann equations for phase transitions.

PubMed

Siebert, D N; Philippi, P C; Mattila, K K

2014-11-01

Unlike conventional computational fluid dynamics methods, the lattice Boltzmann method (LBM) describes the dynamic behavior of fluids in a mesoscopic scale based on discrete forms of kinetic equations. In this scale, complex macroscopic phenomena like the formation and collapse of interfaces can be naturally described as related to source terms incorporated into the kinetic equations. In this context, a novel athermal lattice Boltzmann scheme for the simulation of phase transition is proposed. The continuous kinetic model obtained from the Liouville equation using the mean-field interaction force approach is shown to be consistent with diffuse interface model using the Helmholtz free energy. Density profiles, interface thickness, and surface tension are analytically derived for a plane liquid-vapor interface. A discrete form of the kinetic equation is then obtained by applying the quadrature method based on prescribed abscissas together with a third-order scheme for the discretization of the streaming or advection term in the Boltzmann equation. Spatial derivatives in the source terms are approximated with high-order schemes. The numerical validation of the method is performed by measuring the speed of sound as well as by retrieving the coexistence curve and the interface density profiles. The appearance of spurious currents near the interface is investigated. The simulations are performed with the equations of state of Van der Waals, Redlich-Kwong, Redlich-Kwong-Soave, Peng-Robinson, and Carnahan-Starling. PMID:25493907

7. A kinetic-theory approach to turbulent chemically reacting flows

NASA Technical Reports Server (NTRS)

Chung, P. M.

1976-01-01

The paper examines the mathematical and physical foundations for the kinetic theory of reactive turbulent flows, discussing the differences and relation between the kinetic and averaged equations, and comparing some solutions of the kinetic equations obtained by the Green's function method with those obtained by the approximate bimodal method. The kinetic method described consists essentially in constructing the probability density functions of the chemical species on the basis of solutions of the Langevin stochastic equation for the influence of eddies on the behavior of fluid elements. When the kinetic equations are solved for the structure of the diffusion flame established in a shear layer by the bimodal method, discontinuities in gradients of the mean concentrations at the two flame edges appear. This is a consequence of the bimodal approximation of all distribution functions by two dissimilar half-Maxwellian functions, which is a very crude approximation. These discontinuities do not appear when the solutions are constructed by the Green's function method described here.

8. Dual Diagonalization of Reactive Transport Equations

NASA Astrophysics Data System (ADS)

Yeh, G.; Tsai, C.

2013-12-01

One solves a system of species transport equations in the primitive approach to reactive transport modeling. This approach is not able to decouple equilibrium reaction rates from species concentrations. This problem has been overcome with the approach to diagonalizing the reaction matrix since mid 1990's, which yields the same number of transport equations for reaction-extents. In the diagonalization approach, first, a subset of reaction- extent transport equations is solved for concentrations of components and kinetic-variables. Then, the component, kinetic-variable, and mass action equations are solved for all species concentrations. Finally, the equilibrium reaction rates are posterior computed. The difficulty in this approach is that the solution of species concentrations in the second step is a stiff problem when the concentrations of master species are small compared to those of equilibrium species. To overcome the problem of stiffness, we propose a dual diagonalization approach. Here, a second diagonalization is performed on the decomposed unit matrix to yield species concentrations, each as a linear function of reaction extents. In this dual diagonalization approach, four steps are needed to complete the modeling. First, component and kinetic-variable transport equations are solved for the concentrations of components (a subset of reaction-extents) and kinetic-variables (another subset of reaction-extents). Second, the set of mass action equations written in terms of reaction extents are solved for equilibrium-variables (yet another subset of reaction-extents). Third, species concentrations are posterior obtained by solving the set of linear equations defining reaction-extents. Fourth, equilibrium rates are posterior calculated with transport equations for equilibrium-variables. Several example problems will be used to demonstrate the efficiency of this approach. Keywords: Reactive Transport, Reaction-Extent, Component, Kinetic-Variable, Equilibrium

9. On the relationships between Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

DOE PAGESBeta

Tang, J. Y.

2015-09-03

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state formore » the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ]T of v with respect to the total substrate concentration [ S ]T. Meanwhile, the

10. On the relationships between Michaelis-Menten kinetics, reverse Michaelis-Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

NASA Astrophysics Data System (ADS)

Tang, J. Y.

2015-09-01

The Michaelis-Menten kinetics and the reverse Michaelis-Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state for the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis-Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis-Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis-Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ]T of v with respect to the total substrate concentration [ S ]T. Meanwhile

11. Algebraic operator approach to gas kinetic models

NASA Astrophysics Data System (ADS)

Il'ichov, L. V.

1997-02-01

Some general properties of the linear Boltzmann kinetic equation are used to present it in the form ∂ tϕ = - Â†Âϕ with the operators ÂandÂ† possessing some nontrivial algebraic properties. When applied to the Keilson-Storer kinetic model, this method gives an example of quantum ( q-deformed) Lie algebra. This approach provides also a natural generalization of the “kangaroo model”.

12. Perceptions of the Schrodinger equation

NASA Astrophysics Data System (ADS)

Efthimiades, Spyros

2014-03-01

The Schrodinger equation has been considered to be a postulate of quantum physics, but it is also perceived as the quantum equivalent of the non-relativistic classical energy relation. We argue that the Schrodinger equation cannot be a physical postulate, and we show explicitly that its second space derivative term is wrongly associated with the kinetic energy of the particle. The kinetic energy of a particle at a point is proportional to the square of the momentum, that is, to the square of the first space derivative of the wavefunction. Analyzing particle interactions, we realize that particles have multiple virtual motions and that each motion is accompanied by a wave that has constant amplitude. Accordingly, we define the wavefunction as the superposition of the virtual waves of the particle. In simple interaction settings we can tell what particle motions arise and can explain the outcomes in direct and tangible terms. Most importantly, the mathematical foundation of quantum mechanics becomes clear and justified, and we derive the Schrodinger, Dirac, etc. equations as the conditions the wavefunction must satisfy at each space-time point in order to fulfill the respective total energy equation.

13. Hybrid fluid/kinetic model for parallel heat conduction

SciTech Connect

Callen, J.D.; Hegna, C.C.; Held, E.D.

1998-12-31

It is argued that in order to use fluid-like equations to model low frequency ({omega} < {nu}) phenomena such as neoclassical tearing modes in low collisionality ({nu} < {omega}{sub b}) tokamak plasmas, a Chapman-Enskog-like approach is most appropriate for developing an equation for the kinetic distortion (F) of the distribution function whose velocity-space moments lead to the needed fluid moment closure relations. Further, parallel heat conduction in a long collision mean free path regime can be described through a combination of a reduced phase space Chapman-Enskog-like approach for the kinetics and a multiple-time-scale analysis for the fluid and kinetic equations.

14. Eulerian action principles for linearized reduced dynamical equations

NASA Astrophysics Data System (ADS)

Brizard, Alain

1994-08-01

New Eulerian action principles for the linearized gyrokinetic Maxwell-Vlasov equations and the linearized kinetic-magnetohydrodynamic (kinetic-MHD) equations are presented. The variational fields for the linearized gyrokinetic Vlasov-Maxwell equations are the perturbed electromagnetic potentials (φ1,A1) and the gyroangle-independent gyrocenter (gy) function Sgy, while the variational fields for the linearized kinetic-MHD equations are the ideal MHD fluid displacement ξ and the gyroangle-independent drift-kinetic (dk) function Sdk (defined as the drift-kinetic limit of Sgy). According to the Lie-transform approach to Vlasov perturbation theory, Sgy generates first-order perturbations in the gyrocenter distribution F1≡{Sgy, F0}gc, where F1 satisfies the linearized gyrokinetic Vlasov equation and {, }gc denotes the unperturbed guiding-center (gc) Poisson bracket. Previous quadratic variational forms were constructed ad hoc from the linearized equations, and required the linearized gyrokinetic (or drift-kinetic) Vlasov equation to be solved a priori (e.g., by integration along an unperturbed guiding-center orbit) through the use of the normal-mode and ballooning-mode representations. The presented action principles ignore these requirements and, thus, apply to more general perturbations.

15. Kinetic theory of spatially inhomogeneous stellar systems without collective effects

NASA Astrophysics Data System (ADS)

Chavanis, P.-H.

2013-08-01

We review and complete the kinetic theory of spatially inhomogeneous stellar systems when collective effects (dressing of the stars by their polarization cloud) are neglected. We start from the BBGKY hierarchy issued from the Liouville equation and consider an expansion in powers of 1/N in a proper thermodynamic limit. For N → +∞, we obtain the Vlasov equation describing the evolution of collisionless stellar systems like elliptical galaxies. This corresponds to the mean field approximation. At the order 1/N, we obtain a kinetic equation describing the evolution of collisional stellar systems like globular clusters. This corresponds to the weak coupling approximation. This equation coincides with the generalized Landau equation derived from a more abstract projection operator formalism. This equation does not suffer logarithmic divergences at large scales since spatial inhomogeneity is explicitly taken into account. Making a local approximation, and introducing an upper cut-off at the Jeans length, it reduces to the Vlasov-Landau equation which is the standard kinetic equation of stellar systems. Our approach provides a simple and pedagogical derivation of these important equations from the BBGKY hierarchy which is more rigorous for systems with long-range interactions than the two-body encounters theory. Making an adiabatic approximation, we write the generalized Landau equation in angle-action variables and obtain a Landau-type kinetic equation that is valid for fully inhomogeneous stellar systems and is free of divergences at large scales. This equation is less general than the recently derived Lenard-Balescu-type kinetic equation since it neglects collective effects, but it is substantially simpler and could be useful as a first step. We discuss the evolution of the system as a whole and the relaxation of a test star in a bath of field stars. We derive the corresponding Fokker-Planck equation in angle-action variables and provide expressions for the

16. Extended rate equations

SciTech Connect

Shore, B.W.

1981-01-30

The equations of motion are discussed which describe time dependent population flows in an N-level system, reviewing the relationship between incoherent (rate) equations, coherent (Schrodinger) equations, and more general partially coherent (Bloch) equations. Approximations are discussed which replace the elaborate Bloch equations by simpler rate equations whose coefficients incorporate long-time consequences of coherence.

17. Reciprocal relations between kinetic curves

NASA Astrophysics Data System (ADS)

Yablonsky, G. S.; Gorban, A. N.; Constales, D.; Galvita, V. V.; Marin, G. B.

2011-01-01

We study coupled irreversible processes. For linear or linearized kinetics with microreversibility, \\dot{x}=Kx , the kinetic operator K is symmetric in the entropic inner product. This form of Onsager's reciprocal relations implies that the shift in time, exp(Kt), is also a symmetric operator. This generates the reciprocity relations between the kinetic curves. For example, for the Master equation, if we start the process from the i-th pure state and measure the probability pj(t) of the j-th state (j≠i), and, similarly, measure pi(t) for the process, which starts at the j-th pure state, then the ratio of these two probabilities pj(t)/pi(t) is constant in time and coincides with the ratio of the equilibrium probabilities. We study similar and more general reciprocal relations between the kinetic curves. The experimental evidence provided as an example is from the reversible water gas shift reaction over iron oxide catalyst. The experimental data are obtained using Temporal Analysis of Products (TAP) pulse-response studies. These offer excellent confirmation within the experimental error.

18. Zakharov equations in quantum dusty plasmas

SciTech Connect

Sayed, F.; Vladimirov, S. V.; Ishihara, O.

2015-08-15

By generalizing the formalism of modulational interactions in quantum dusty plasmas, we derive the kinetic quantum Zakharov equations in dusty plasmas that describe nonlinear coupling of high frequency Langmuir waves to low frequency plasma density variations, for cases of non-degenerate and degenerate plasma electrons.

19. Kinetics of the humid aging of magnetic recording tape

NASA Technical Reports Server (NTRS)

Bertram, H. N.; Cuddihy, E. F.

1982-01-01

The kinetics of the hydrolysis of polyester urethane binders of magnetic recording tape is described. Kinetic data were generated from measurements of acetone-extractable hydrolyzed binder products versus time for various humidity-temperature environments. These data can be described by a linear, single product, reversible rate equation. This equation, coupled with measurements on the effect of hydrolysis on recorded tape performance, is used to predict proper environmental storage conditions for magnetic tape.

20. Kinetic theory of electromagnetic ion waves in relativistic plasmas

SciTech Connect

Marklund, Mattias; Shukla, Padma K.

2006-09-15

A kinetic theory for electromagnetic ion waves in a cold relativistic plasma is derived. The kinetic equation for the broadband electromagnetic ion waves is coupled to the slow density response via an acoustic equation driven by a ponderomotive force-like term linear in the electromagnetic field amplitude. The modulational instability growth rate is derived for an arbitrary spectrum of waves. The monochromatic and random phase cases are studied.

1. Simplification of the unified gas kinetic scheme.

PubMed

Chen, Songze; Guo, Zhaoli; Xu, Kun

2016-08-01

The unified gas kinetic scheme (UGKS) is an asymptotic preserving (AP) scheme for kinetic equations. It is superior for transition flow simulation and has been validated in the past years. However, compared to the well-known discrete ordinate method (DOM), which is a classical numerical method solving the kinetic equations, the UGKS needs more computational resources. In this study, we propose a simplification of the unified gas kinetic scheme. It allows almost identical numerical cost as the DOM, but predicts numerical results as accurate as the UGKS. In the simplified scheme, the numerical flux for the velocity distribution function and the numerical flux for the macroscopic conservative quantities are evaluated separately. The equilibrium part of the UGKS flux is calculated by analytical solution instead of the numerical quadrature in velocity space. The simplification is equivalent to a flux hybridization of the gas kinetic scheme for the Navier-Stokes (NS) equations and the conventional discrete ordinate method. Several simplification strategies are tested, through which we can identify the key ingredient of the Navier-Stokes asymptotic preserving property. Numerical tests show that, as long as the collision effect is built into the macroscopic numerical flux, the numerical scheme is Navier-Stokes asymptotic preserving, regardless the accuracy of the microscopic numerical flux for the velocity distribution function. PMID:27627418

2. Kinetic theory of relativistic plasmas

NASA Technical Reports Server (NTRS)

Gould, R. J.

1981-01-01

The thermalization of particle kinetic motion by binary collisions is considered for a plasma with a Boltzmann constant-temperature product approximately equal to 10 to 100 times the product of the electron mass with the square of the speed of light. At this temperature, the principal mechanism for relaxation of electron motion is via radiationless electron-electron collisions (Moller scattering). Ions are nonrelativistic, but are energetic enough so that their Coulomb scattering can be treated in the Born approximation. Relaxation times are computed and Boltzmann-equation Fokker-Planck operators are derived for the various binary-collision processes. The expression for the rate of kinetic energy exchange between electron and ion gases is derived for the case where the gases are at different temperatures.

3. Fulvenallene decomposition kinetics.

PubMed

Polino, Daniela; Cavallotti, Carlo

2011-09-22

While the decomposition kinetics of the benzyl radical has been studied in depth both from the experimental and the theoretical standpoint, much less is known about the reactivity of what is likely to be its main decomposition product, fulvenallene. In this work the high temperature reactivity of fulvenallene was investigated on a Potential Energy Surface (PES) consisting of 10 wells interconnected through 11 transition states using a 1 D Master Equation (ME). Rate constants were calculated using RRKM theory and the ME was integrated using a stochastic kinetic Monte Carlo code. It was found that two main decomposition channels are possible, the first is active on the singlet PES and leads to the formation of the fulvenallenyl radical and atomic hydrogen. The second requires intersystem crossing to the triplet PES and leads to acetylene and cyclopentadienylidene. ME simulations were performed calculating the microcanonical intersystem crossing frequency using Landau-Zener theory convoluting the crossing probability with RRKM rates evaluated at the conical intersection. It was found that the reaction channel leading to the cyclopentadienylidene diradical is only slightly faster than that leading to the fulvenallenyl radical, so that it can be concluded that both reactions are likely to be active in the investigated temperature (1500-2000 K) and pressure (0.05-50 bar) ranges. However, the simulations show that intersystem crossing is rate limiting for the first reaction channel, as the removal of this barrier leads to an increase of the rate constant by a factor of 2-3. Channel specific rate constants are reported as a function of temperature and pressure. PMID:21819060

4. Lattice kinetic simulation of nonisothermal magnetohydrodynamics.

PubMed

Chatterjee, Dipankar; Amiroudine, Sakir

2010-06-01

In this paper, a lattice kinetic algorithm is presented to simulate nonisothermal magnetohydrodynamics in the low-Mach number incompressible limit. The flow and thermal fields are described by two separate distribution functions through respective scalar kinetic equations and the magnetic field is governed by a vector distribution function through a vector kinetic equation. The distribution functions are only coupled via the macroscopic density, momentum, magnetic field, and temperature computed at the lattice points. The novelty of the work is the computation of the thermal field in conjunction with the hydromagnetic fields in the lattice Boltzmann framework. A 9-bit two-dimensional (2D) lattice scheme is used for the numerical computation of the hydrodynamic and thermal fields, whereas the magnetic field is simulated in a 5-bit 2D lattice. Simulation of Hartmann flow in a channel provides excellent agreement with corresponding analytical results. PMID:20866540

5. Classical non-Markovian Boltzmann equation

SciTech Connect

Alexanian, Moorad

2014-08-01

The modeling of particle transport involves anomalous diffusion, (x²(t) ) ∝ t{sup α} with α ≠ 1, with subdiffusive transport corresponding to 0 < α < 1 and superdiffusive transport to α > 1. These anomalies give rise to fractional advection-dispersion equations with memory in space and time. The usual Boltzmann equation, with only isolated binary collisions, is Markovian and, in particular, the contributions of the three-particle distribution function are neglected. We show that the inclusion of higher-order distribution functions give rise to an exact, non-Markovian Boltzmann equation with resulting transport equations for mass, momentum, and kinetic energy with memory in both time and space. The two- and the three-particle distribution functions are considered under the assumption that the two- and the three-particle correlation functions are translationally invariant that allows us to obtain advection-dispersion equations for modeling transport in terms of spatial and temporal fractional derivatives.

6. Quantum logics and chemical kinetics

NASA Astrophysics Data System (ADS)

Ivanov, C. I.

1981-06-01

A statistical theory of chemical kinetics is presented based on the quantum logical concept of chemical observables. The apparatus of Boolean algebra B is applied for the construction of appropriate composition polynomials referring to any stipulated arrangement of the atomic constituents. A physically motivated probability measure μ( F) is introduced on the field B of chemical observables, which considers the occurrence of the yes response of a given F ɛ B. The equations for the time evolution of the species density operators and the master equations for the corresponding number densities are derived. The general treatment is applied to a superposition of elementary substitution reactions (AB) α + C ⇄ (AC) β + B. The expressions for the reaction rate coefficients are established.

7. Solid State Kinetic Parameters and Chemical Mechanism of the Dehydration of CoCl2.6H2O.

ERIC Educational Resources Information Center

Ribas, Joan; And Others

1988-01-01

Presents an experimental example illustrating the most common methods for the determination of kinetic parameters. Discusses the different theories and equations to be applied and the mechanism derived from the kinetic results. (CW)

8. Representing Rate Equations for Enzyme-Catalyzed Reactions

ERIC Educational Resources Information Center

Ault, Addison

2011-01-01

Rate equations for enzyme-catalyzed reactions are derived and presented in a way that makes it easier for the nonspecialist to see how the rate of an enzyme-catalyzed reaction depends upon kinetic constants and concentrations. This is done with distribution equations that show how the rate of the reaction depends upon the relative quantities of…

9. Transport equations in tokamak plasmas

SciTech Connect

Callen, J. D.; Hegna, C. C.; Cole, A. J.

2010-05-15

Tokamak plasma transport equations are usually obtained by flux surface averaging the collisional Braginskii equations. However, tokamak plasmas are not in collisional regimes. Also, ad hoc terms are added for neoclassical effects on the parallel Ohm's law, fluctuation-induced transport, heating, current-drive and flow sources and sinks, small magnetic field nonaxisymmetries, magnetic field transients, etc. A set of self-consistent second order in gyroradius fluid-moment-based transport equations for nearly axisymmetric tokamak plasmas has been developed using a kinetic-based approach. The derivation uses neoclassical-based parallel viscous force closures, and includes all the effects noted above. Plasma processes on successive time scales and constraints they impose are considered sequentially: compressional Alfven waves (Grad-Shafranov equilibrium, ion radial force balance), sound waves (pressure constant along field lines, incompressible flows within a flux surface), and collisions (electrons, parallel Ohm's law; ions, damping of poloidal flow). Radial particle fluxes are driven by the many second order in gyroradius toroidal angular torques on a plasma species: seven ambipolar collision-based ones (classical, neoclassical, etc.) and eight nonambipolar ones (fluctuation-induced, polarization flows from toroidal rotation transients, etc.). The plasma toroidal rotation equation results from setting to zero the net radial current induced by the nonambipolar fluxes. The radial particle flux consists of the collision-based intrinsically ambipolar fluxes plus the nonambipolar fluxes evaluated at the ambipolarity-enforcing toroidal plasma rotation (radial electric field). The energy transport equations do not involve an ambipolar constraint and hence are more directly obtained. The 'mean field' effects of microturbulence on the parallel Ohm's law, poloidal ion flow, particle fluxes, and toroidal momentum and energy transport are all included self-consistently. The

10. Spin field equations and Heun's equations

NASA Astrophysics Data System (ADS)

Jiang, Min; Wang, Xuejing; Li, Zhongheng

2015-06-01

The Kerr-Newman-(anti) de Sitter metric is the most general stationary black hole solution to the Einstein-Maxwell equation with a cosmological constant. We study the separability of the equations of the massless scalar (spin s=0), neutrino ( s=1/2), electromagnetic ( s=1), Rarita-Schwinger ( s=3/2), and gravitational ( s=2) fields propagating on this background. We obtain the angular and radial master equations, and show that the master equations are transformed to Heun's equation. Meanwhile, we give the condition of existence of event horizons for Kerr-Newman-(anti) de Sitter spacetime by using Sturm theorem.

11. Basic lubrication equations

NASA Technical Reports Server (NTRS)

Hamrock, B. J.; Dowson, D.

1981-01-01

Lubricants, usually Newtonian fluids, are assumed to experience laminar flow. The basic equations used to describe the flow are the Navier-Stokes equation of motion. The study of hydrodynamic lubrication is, from a mathematical standpoint, the application of a reduced form of these Navier-Stokes equations in association with the continuity equation. The Reynolds equation can also be derived from first principles, provided of course that the same basic assumptions are adopted in each case. Both methods are used in deriving the Reynolds equation, and the assumptions inherent in reducing the Navier-Stokes equations are specified. Because the Reynolds equation contains viscosity and density terms and these properties depend on temperature and pressure, it is often necessary to couple the Reynolds with energy equation. The lubricant properties and the energy equation are presented. Film thickness, a parameter of the Reynolds equation, is a function of the elastic behavior of the bearing surface. The governing elasticity equation is therefore presented.

12. Fundamental electrode kinetics

NASA Technical Reports Server (NTRS)

Elder, J. P.

1968-01-01

Report presents the fundamentals of electrode kinetics and the methods used in evaluating the characteristic parameters of rapid-charge transfer processes at electrode-electrolyte interfaces. The concept of electrode kinetics is outlined, followed by the principles underlying the experimental techniques for the investigation of electrode kinetics.

13. Kinetic energy budgets in areas of intense convection

NASA Technical Reports Server (NTRS)

Fuelberg, H. E.; Berecek, E. M.; Ebel, D. M.; Jedlovec, G. J.

1980-01-01

A kinetic energy budget analysis of the AVE-SESAME 1 period which coincided with the deadly Red River Valley tornado outbreak is presented. Horizontal flux convergence was found to be the major kinetic energy source to the region, while cross contour destruction was the major sink. Kinetic energy transformations were dominated by processes related to strong jet intrusion into the severe storm area. A kinetic energy budget of the AVE 6 period also is presented. The effects of inherent rawinsonde data errors on widely used basic kinematic parameters, including velocity divergence, vorticity advection, and kinematic vertical motion are described. In addition, an error analysis was performed in terms of the kinetic energy budget equation. Results obtained from downward integration of the continuity equation to obtain kinematic values of vertical motion are described. This alternate procedure shows promising results in severe storm situations.

14. Conformational kinetics of aliphatic tails

NASA Astrophysics Data System (ADS)

Ferrarini, Alberta; Moro, Giorgio; Nordio, Pier Luigi

The master equation describing the random walk between sites identified with the stable conformers of a chain molecule, represents the extension to the time domain of the Rotational Isomeric State model. The asymptotic analysis of the multidimensional diffusion equation in the continuous torsional variables subjected to the configurational potential, provides a rigorous justification for the discrete models, and it supplies, without resorting to phenomenological parameters, molecular definitions of the kinetic rates for the conformational transitions occurring at each segment of the chain. The coupling between the torsional variables is fully taken into account, giving rise to cooperative effects. A complete calculation of the specific correlation functions which describe the time evolution of the angular functions probed by N.M.R. and dielectric relaxation measurements, has been performed for alkyl chains attached to a massive core. The resulting behaviour has been compared with the decay of trans and gauche populations of specific bonds, expressed in terms of suitable correlation functions whose time integrals lead quite naturally to the definition of effective kinetic constants for the conformational transitions.

15. Kinetics of Propargyl Radical Dissociation.

PubMed

Klippenstein, Stephen J; Miller, James A; Jasper, Ahren W

2015-07-16

Due to the prominent role of the propargyl radical for hydrocarbon growth within combustion environments, it is important to understand the kinetics of its formation and loss. The ab initio transition state theory-based master equation method is used to obtain theoretical kinetic predictions for the temperature and pressure dependence of the thermal decomposition of propargyl, which may be its primary loss channel under some conditions. The potential energy surface for the decomposition of propargyl is first mapped at a high level of theory with a combination of coupled cluster and multireference perturbation calculations. Variational transition state theory is then used to predict the microcanonical rate coefficients, which are subsequently implemented within the multiple-well multiple-channel master equation. A variety of energy transfer parameters are considered, and the sensitivity of the thermal rate predictions to these parameters is explored. The predictions for the thermal decomposition rate coefficient are found to be in good agreement with the limited experimental data. Modified Arrhenius representations of the rate constants are reported for utility in combustion modeling. PMID:25871530

16. Drift Kinetic Theory and Cosmic Rays

SciTech Connect

Webb, G. M.; Le Roux, J. A.; Zank, G. P.

2009-11-11

Starting from the Vlasov or Boltzmann equation for cosmic rays in a random and regular magnetic field, we introduce guiding center coordinates and transform the velocity to a frame moving at the electric field drift velocity. The resultant equation is written in terms of the parallel and perpendicular momentum and gyro-phase of the particle, and describes spatial particle transport in guiding center coordinates. Using the drift ordering in which the gyro-scale and gyro-period are assumed short compared to the background flow length and time scales, and averaging over the gyro-phase gives the drift kinetic equation in which the adiabatic moment and total particle energy in the inertial frame are used to describe the momentum and energy of the particle. If the parallel electric field is small, the adiabatic moment of the particles is conserved to lowest order in the drift ordering. The resultant drift kinetic equation properly takes into account the energy changes of the particles due to drifts along the electric field, and betatron acceleration, but contains only the lowest order approximation for the guiding center drift velocity to describe the spatial advection of the particles. A further transformation of variables, in which the particle momentum and pitch angle are specified in the local fluid frame, gives the focussed transport equation derived by Skilling to describe particle transport in a moving plasma medium, such as the solar wind. The connections to previous derivations of the Skilling's pitch angle focussed transport equation are discussed.

17. Drift Kinetic Theory and Cosmic Rays

NASA Astrophysics Data System (ADS)

Webb, G. M.; Le Roux, J. A.; Zank, G. P.

2009-11-01

Starting from the Vlasov or Boltzmann equation for cosmic rays in a random and regular magnetic field, we introduce guiding center coordinates and transform the velocity to a frame moving at the electric field drift velocity. The resultant equation is written in terms of the parallel and perpendicular momentum and gyro-phase of the particle, and describes spatial particle transport in guiding center coordinates. Using the drift ordering in which the gyro-scale and gyro-period are assumed short compared to the background flow length and time scales, and averaging over the gyro-phase gives the drift kinetic equation in which the adiabatic moment and total particle energy in the inertial frame are used to describe the momentum and energy of the particle. If the parallel electric field is small, the adiabatic moment of the particles is conserved to lowest order in the drift ordering. The resultant drift kinetic equation properly takes into account the energy changes of the particles due to drifts along the electric field, and betatron acceleration, but contains only the lowest order approximation for the guiding center drift velocity to describe the spatial advection of the particles. A further transformation of variables, in which the particle momentum and pitch angle are specified in the local fluid frame, gives the focussed transport equation derived by Skilling [1] to describe particle transport in a moving plasma medium, such as the solar wind. The connections to previous derivations of the Skilling's pitch angle focussed transport equation are discussed.

18. Solution of Chemical Master Equations for Nonlinear Stochastic Reaction Networks

PubMed Central

Smadbeck, Patrick; Kaznessis, Yiannis N.

2014-01-01

Stochasticity in the dynamics of small reacting systems requires discrete-probabilistic models of reaction kinetics instead of traditional continuous-deterministic ones. The master probability equation is a complete model of randomly evolving molecular populations. Because of its ambitious character, the master equation remained unsolved for all but the simplest of molecular interaction networks. With the first solution of chemical master equations, a wide range of experimental observations of small-system interactions may be mathematically conceptualized. PMID:25215268

19. Power-law spatial dispersion from fractional Liouville equation

SciTech Connect

Tarasov, Vasily E.

2013-10-15

A microscopic model in the framework of fractional kinetics to describe spatial dispersion of power-law type is suggested. The Liouville equation with the Caputo fractional derivatives is used to obtain the power-law dependence of the absolute permittivity on the wave vector. The fractional differential equations for electrostatic potential in the media with power-law spatial dispersion are derived. The particular solutions of these equations for the electric potential of point charge in this media are considered.

20. Functional derivative of the kinetic energy functional for spherically symmetric systems.

PubMed

Nagy, Á

2011-07-28

Ensemble non-interacting kinetic energy functional is constructed for spherically symmetric systems. The differential virial theorem is derived for the ensemble. A first-order differential equation for the functional derivative of the ensemble non-interacting kinetic energy functional and the ensemble Pauli potential is presented. This equation can be solved and a special case of the solution provides the original non-interacting kinetic energy of the density functional theory. PMID:21806089

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

NASA Technical Reports Server (NTRS)

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.

2. Kinetic Approach for Laser-Induced Plasmas

SciTech Connect

Omar, Banaz; Rethfeld, Baerbel

2008-10-22

Non-equilibrium distribution functions of electron gas and phonon gas excited with ultrashort intense laser pulses are calculated for laser-induced plasmas occurring in solids. The excitation during femtosecond irradiation and the subsequent thermalization of the free electrons, as well as the dynamics of phonons are described by kinetic equations. The microscopic collision processes, such as absorption by inverse bremsstrahlung, electron-electron collisions, and electron-phonon interactions are considered by complete Boltzmann collision integrals. We apply our kinetic approach for gold by taking s-band electron into account and compare it with the case of excitation of d-band electrons.

3. Neutral Vlasov kinetic theory of magnetized plasmas

SciTech Connect

Tronci, Cesare; Camporeale, Enrico

2015-02-15

The low-frequency limit of Maxwell equations is considered in the Maxwell-Vlasov system. This limit produces a neutral Vlasov system that captures essential features of plasma dynamics, while neglecting radiation effects. Euler-Poincaré reduction theory is used to show that the neutral Vlasov kinetic theory possesses a variational formulation in both Lagrangian and Eulerian coordinates. By construction, the new model recovers all collisionless neutral models employed in plasma simulations. Then, comparisons between the neutral Vlasov system and hybrid kinetic-fluid models are presented in the linear regime.

4. Chemical Equation Balancing.

ERIC Educational Resources Information Center

Blakley, G. R.

1982-01-01

Reviews mathematical techniques for solving systems of homogeneous linear equations and demonstrates that the algebraic method of balancing chemical equations is a matter of solving a system of homogeneous linear equations. FORTRAN programs using this matrix method to chemical equation balancing are available from the author. (JN)

5. Equations and closure methods

NASA Technical Reports Server (NTRS)

1977-01-01

Basic differential equations governing compressible turbulent boundary layer flow are reviewed, including conservation of mass and energy, momentum equations derived from Navier-Stokes equations, and equations of state. Closure procedures were broken down into: (1) simple or zeroth-order methods, (2) first-order or mean field closure methods, and (3) second-order or mean turbulence field methods.

6. Modelling Heart Rate Kinetics

PubMed Central

Zakynthinaki, Maria S.

2015-01-01

The objective of the present study was to formulate a simple and at the same time effective mathematical model of heart rate kinetics in response to movement (exercise). Based on an existing model, a system of two coupled differential equations which give the rate of change of heart rate and the rate of change of exercise intensity is used. The modifications introduced to the existing model are justified and discussed in detail, while models of blood lactate accumulation in respect to time and exercise intensity are also presented. The main modification is that the proposed model has now only one parameter which reflects the overall cardiovascular condition of the individual. The time elapsed after the beginning of the exercise, the intensity of the exercise, as well as blood lactate are also taken into account. Application of the model provides information regarding the individual’s cardiovascular condition and is able to detect possible changes in it, across the data recording periods. To demonstrate examples of successful numerical fit of the model, constant intensity experimental heart rate data sets of two individuals have been selected and numerical optimization was implemented. In addition, numerical simulations provided predictions for various exercise intensities and various cardiovascular condition levels. The proposed model can serve as a powerful tool for a complete means of heart rate analysis, not only in exercise physiology (for efficiently designing training sessions for healthy subjects) but also in the areas of cardiovascular health and rehabilitation (including application in population groups for which direct heart rate recordings at intense exercises are not possible or not allowed, such as elderly or pregnant women). PMID:25876164

7. Modelling heart rate kinetics.

PubMed

Zakynthinaki, Maria S

2015-01-01

The objective of the present study was to formulate a simple and at the same time effective mathematical model of heart rate kinetics in response to movement (exercise). Based on an existing model, a system of two coupled differential equations which give the rate of change of heart rate and the rate of change of exercise intensity is used. The modifications introduced to the existing model are justified and discussed in detail, while models of blood lactate accumulation in respect to time and exercise intensity are also presented. The main modification is that the proposed model has now only one parameter which reflects the overall cardiovascular condition of the individual. The time elapsed after the beginning of the exercise, the intensity of the exercise, as well as blood lactate are also taken into account. Application of the model provides information regarding the individual's cardiovascular condition and is able to detect possible changes in it, across the data recording periods. To demonstrate examples of successful numerical fit of the model, constant intensity experimental heart rate data sets of two individuals have been selected and numerical optimization was implemented. In addition, numerical simulations provided predictions for various exercise intensities and various cardiovascular condition levels. The proposed model can serve as a powerful tool for a complete means of heart rate analysis, not only in exercise physiology (for efficiently designing training sessions for healthy subjects) but also in the areas of cardiovascular health and rehabilitation (including application in population groups for which direct heart rate recordings at intense exercises are not possible or not allowed, such as elderly or pregnant women). PMID:25876164

8. Anomalous Maxwell equations for inhomogeneous chiral plasma

NASA Astrophysics Data System (ADS)

Gorbar, E. V.; Shovkovy, I. A.; Vilchinskii, S.; Rudenok, I.; Boyarsky, A.; Ruchayskiy, O.

2016-05-01

Using the chiral kinetic theory we derive the electric and chiral current densities in inhomogeneous relativistic plasma. We also derive equations for the electric and chiral chemical potentials that close the Maxwell equations in such a plasma. The analysis is done in the regimes with and without a drift of the plasma as a whole. In addition to the currents present in the homogeneous plasma (Hall current, chiral magnetic, chiral separation, and chiral electric separation effects, as well as Ohm's current) we derive several new terms associated with inhomogeneities of the plasma. Apart from various diffusionlike terms, we find also new dissipationless terms that are independent of relaxation time. Their origin can be traced to the Berry curvature modifications of the kinetic theory.

9. Kinetic theory of runaway air-breakdown

SciTech Connect

Roussel-Dupre, R.A.; Gurevich, A.V.; Tunnell, T.; Milikh, G.M.

1993-09-01

The kinetic theory for a new air breakdown mechanism advanced in a previous paper is developed. The relevant form of the Boltzmann equation is derived and the particle orbits in both velocity space and configuration space are computed. A numerical solution of the Boltzmann equation, assuming a spatially uniform electric field, is obtained and the temporal evolution of the electron velocity distribution function is described. The results of our analysis are used to estimate the magnitude of potential x-ray emissions from discharges in thunderstorms.

10. Kinetic theory of runaway air breakdown

SciTech Connect

Roussel-Dupre, R.A. ); Gurevich, A.V. ); Tunnell, T. ); Milikh, G.M. )

1994-03-01

The kinetic theory for an air breakdown mechanism advanced in a previous paper [Phys. Lett. A 165, 463 (1992)] is developed. The relevant form of the Boltzmann equation is derived and the particle orbits in both velocity space and configuration space are computed. A numerical solution of the Boltzmann equation, assuming a spatially uniform electric field, is obtained and the temporal evolution of the electron velocity distribution function is described. The results of our analysis are used to estimate the magnitude of potential x-ray emissions from discharges in thunderstorms.

11. The quasicontinuum Fokker-Plank equation

SciTech Connect

Alexander, Francis J

2008-01-01

We present a regularized Fokker-Planck equation with more accurate short-time and high-frequency behavior for continuous-time, discrete-state systems. The regularization preserves crucial aspects of state-space discreteness lost in the standard Kramers-Moyal expansion. We apply the method to a simple example of biochemical reaction kinetics and to a two-dimensional symmetric random walk, and suggest its application to more complex systerns.

12. Kinetics of helium bubble formation in nuclear materials

SciTech Connect

Bonilla, L L; Carpio, A; Neu, J C; Wolfer, W G

2005-10-13

The formation and growth of helium bubbles due to self-irradiation in plutonium has been modeled by a discrete kinetic equations for the number densities of bubbles having k atoms. Analysis of these equations shows that the bubble size distribution function can be approximated by a composite of: (1) the solution of partial differential equations describing the continuum limit of the theory but corrected to take into account the effects of discreteness, and (2) a local expansion about the advancing leading edge of the distribution function in size space. Both approximations contribute to the memory term in a close integrodifferential equation for the monomer concentration of single helium atoms. The present theory is compared to the numerical solution of the full kinetic model and to previous approximation of Schaldach and Wolfer involving a truncated system of moment equations.

13. Kinetic-energy-momentum tensor in electrodynamics

NASA Astrophysics Data System (ADS)

Sheppard, Cheyenne J.; Kemp, Brandon A.

2016-01-01

We show that the Einstein-Laub formulation of electrodynamics is invalid since it yields a stress-energy-momentum (SEM) tensor that is not frame invariant. Two leading hypotheses for the kinetic formulation of electrodynamics (Chu and Einstein-Laub) are studied by use of the relativistic principle of virtual power, mathematical modeling, Lagrangian methods, and SEM transformations. The relativistic principle of virtual power is used to demonstrate the field dynamics associated with energy relations within a relativistic framework. Lorentz transformations of the respective SEM tensors demonstrate the relativistic frameworks for each studied formulation. Mathematical modeling of stationary and moving media is used to illustrate the differences and discrepancies of specific proposed kinetic formulations, where energy relations and conservation theorems are employed. Lagrangian methods are utilized to derive the field kinetic Maxwell's equations, which are studied with respect to SEM tensor transforms. Within each analysis, the Einstein-Laub formulation violates special relativity, which invalidates the Einstein-Laub SEM tensor.

14. Single wall penetration equations

NASA Technical Reports Server (NTRS)

Hayashida, K. B.; Robinson, J. H.

1991-01-01

Five single plate penetration equations are compared for accuracy and effectiveness. These five equations are two well-known equations (Fish-Summers and Schmidt-Holsapple), two equations developed by the Apollo project (Rockwell and Johnson Space Center (JSC), and one recently revised from JSC (Cour-Palais). They were derived from test results, with velocities ranging up to 8 km/s. Microsoft Excel software was used to construct a spreadsheet to calculate the diameters and masses of projectiles for various velocities, varying the material properties of both projectile and target for the five single plate penetration equations. The results were plotted on diameter versus velocity graphs for ballistic and spallation limits using Cricket Graph software, for velocities ranging from 2 to 15 km/s defined for the orbital debris. First, these equations were compared to each other, then each equation was compared with various aluminum projectile densities. Finally, these equations were compared with test results performed at JSC for the Marshall Space Flight Center. These equations predict a wide variety of projectile diameters at a given velocity. Thus, it is very difficult to choose the 'right' prediction equation. The thickness of a single plate could have a large variation by choosing a different penetration equation. Even though all five equations are empirically developed with various materials, especially for aluminum alloys, one cannot be confident in the shield design with the predictions obtained by the penetration equations without verifying by tests.

15. Interpretation of Bernoulli's Equation.

ERIC Educational Resources Information Center

Bauman, Robert P.; Schwaneberg, Rolf

1994-01-01

Discusses Bernoulli's equation with regards to: horizontal flow of incompressible fluids, change of height of incompressible fluids, gases, liquids and gases, and viscous fluids. Provides an interpretation, properties, terminology, and applications of Bernoulli's equation. (MVL)

16. Reflections on Chemical Equations.

ERIC Educational Resources Information Center

Gorman, Mel

1981-01-01

The issue of how much emphasis balancing chemical equations should have in an introductory chemistry course is discussed. The current heavy emphasis on finishing such equations is viewed as misplaced. (MP)

17. Transport equations for partially ionized reactive plasma in magnetic field

NASA Astrophysics Data System (ADS)

Zhdanov, V. M.; Stepanenko, A. A.

2016-06-01

Transport equations for partially ionized reactive plasma in magnetic field taking into account the internal degrees of freedom and electronic excitation of plasma particles are derived. As a starting point of analysis the kinetic equation with a binary collision operator written in the Wang-Chang and Uhlenbeck form and with a reactive collision integral allowing for arbitrary chemical reactions is used. The linearized variant of Grad's moment method is applied to deduce the systems of moment equations for plasma and also full and reduced transport equations for plasma species nonequilibrium parameters.

18. A note on the reverse Michaelis-Menten kinetics

SciTech Connect

Wang, Gangsheng; Post, Wilfred M

2013-01-01

We theoretically derive a general equation describing the enzyme kinetics that can be further simplified to the typical Michaelis-Menten (M-M) kinetics and the reverse M-M equation (RM-M) proposed by Schimel and Weintraub (2003). We discuss the conditions under which the RM-M is valid with this theoretical derivation. These conditions are contrary to the assumptions of Schimel and Weintraub (2003) and limit the applicability of the model in field soil environments. Nonetheless, Schimel and Weintraub s RM-M model is useful and has the ability to produce a non-linear response of SOM decomposition to enzyme concentration consistent with observations. Regardless of the theoretical basis, if we assume that the M-M and the RM-M could be equivalent, our sensitivity analysis indicates that enzyme plays a more sensitive role in the M-M kinetics compared with in the RM-M kinetics.

19. On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

DOE PAGESBeta

Tang, J. Y.

2015-12-01

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore » state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [E]T of v with respect the total enzyme concentration [E]T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [S]T of v with respect to the total substrate concentration

20. On the relationships between the Michaelis-Menten kinetics, reverse Michaelis-Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

NASA Astrophysics Data System (ADS)

Tang, J. Y.

2015-12-01

The Michaelis-Menten kinetics and the reverse Michaelis-Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme-substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steady state for the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis-Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis-Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis-Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [E]T of v with respect the total enzyme concentration [E]T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [S]T of v with respect to the total substrate concentration [S

1. The Pendulum Equation

ERIC Educational Resources Information Center

Fay, Temple H.

2002-01-01

We investigate the pendulum equation [theta] + [lambda][squared] sin [theta] = 0 and two approximations for it. On the one hand, we suggest that the third and fifth-order Taylor series approximations for sin [theta] do not yield very good differential equations to approximate the solution of the pendulum equation unless the initial conditions are…

2. Hierarchy of equations for the energy functional of the density-functional theory

NASA Astrophysics Data System (ADS)

Nagy, Á.

1993-04-01

A hierarchy of equations has been derived for the energy functionals of the density-functional theory using the virial theorem and the Levy-Perdew relation. In the local-density approximation, the solution of the equations of hierarchy for the kinetic and exchange energies provides the well-known Thomas-Fermi expression for the kinetic energy and the Slater-Gáspár-Kohn-Sham expression for the exchange. The truncation of the hierarchies of the kinetic and exchange energies results in rigorous lower bounds to the kinetic energy and upper bounds to the exchange energy in the plane-wave approximation.

3. Kinetic modelling of mitochondrial translation.

PubMed

Korla, Kalyani; Mitra, Chanchal K

2014-01-01

Mitochondrial genome contains 13 protein coding genes, all being part of the oxidative phosphorylation complexes. The process of translation of these protein coding mRNAs in mitochondrial matrix is a good miniature model of translation in cytoplasm. In this work, we have simulated three phases of mitochondrial translation viz. initiation, elongation and termination (including ribosome recycling). The kinetic equations for these phases have been deduced based on the information available in literature. Various factors involved in the process have been included explicitly. Kinetic simulation was done using Octave, open source software. Scripts were written individually for each phase. Initiation begins with mitoribosome, mRNA, fMet-tRNA and initiation factors. The final product of the initiation script, the initiation complex, was introduced as the start point in the successive step, i.e. elongation. Elongation is a particular extensive process where the various aminoacyl-tRNAs already present in the matrix check for matching with the triplet codon in A-site of mitoribosome. This script consists of two parts: one with the time behaviour of the factors involved in the molecular process (using ordinary differential equation solver) and the other including the reading of triplet codon on the mRNA and incorporating the corresponding aminoacyl-tRNA, and then at each step elongating the peptide chain (using loops and conditions). The peptide chain thus formed in the elongation step (in the loops and conditions segment) was released in the termination step. This was followed by mitoribosome recycling where the mitoribosome reached the native state and was ready for the next cycle of translation. PMID:24028553

4. Consistent description of kinetics and hydrodynamics of dusty plasma

SciTech Connect

Markiv, B.; Tokarchuk, M.; National University “Lviv Polytechnic,” 12 Bandera St., 79013 Lviv

2014-02-15

A consistent statistical description of kinetics and hydrodynamics of dusty plasma is proposed based on the Zubarev nonequilibrium statistical operator method. For the case of partial dynamics, the nonequilibrium statistical operator and the generalized transport equations for a consistent description of kinetics of dust particles and hydrodynamics of electrons, ions, and neutral atoms are obtained. In the approximation of weakly nonequilibrium process, a spectrum of collective excitations of dusty plasma is investigated in the hydrodynamic limit.

5. An integral representation of functions in gas-kinetic models

NASA Astrophysics Data System (ADS)

Perepelitsa, Misha

2016-08-01

Motivated by the theory of kinetic models in gas dynamics, we obtain an integral representation of lower semicontinuous functions on {{{R}}^d,} {d≥1}. We use the representation to study the problem of compactness of a family of the solutions of the discrete time BGK model for the compressible Euler equations. We determine sufficient conditions for strong compactness of moments of kinetic densities, in terms of the measures from their integral representations.

6. The Nonlinear Magnetosphere: Expressions in MHD and in Kinetic Models

NASA Technical Reports Server (NTRS)

Hesse, Michael; Birn, Joachim

2011-01-01

Like most plasma systems, the magnetosphere of the Earth is governed by nonlinear dynamic evolution equations. The impact of nonlinearities ranges from large scales, where overall dynamics features are exhibiting nonlinear behavior, to small scale, kinetic, processes, where nonlinear behavior governs, among others, energy conversion and dissipation. In this talk we present a select set of examples of such behavior, with a specific emphasis on how nonlinear effects manifest themselves in MHD and in kinetic models of magnetospheric plasma dynamics.

7. Stochastic lumping analysis for linear kinetics and its application to the fluctuation relations between hierarchical kinetic networks

SciTech Connect

Deng, De-Ming; Chang, Cheng-Hung

2015-05-14

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal the same experimentally measured fluctuating behaviors and unique fluctuation related physical properties. To clarify these questions, we introduce stochasticity into the traditional lumping analysis, generalize it from rate equations to chemical master equations and stochastic differential equations, and extract the fluctuation relations between kinetically and thermodynamically equivalent networks under intrinsic and extrinsic noises. The results provide a theoretical basis for the legitimate use of low-dimensional models in the studies of macromolecular fluctuations and, more generally, for exploring stochastic features in different levels of contracted networks in chemical and biological kinetic systems.

8. Maximum-entropy closures for kinetic theories of neuronal network dynamics.

PubMed

Rangan, Aaditya V; Cai, David

2006-05-01

We analyze (1 + 1)D kinetic equations for neuronal network dynamics, which are derived via an intuitive closure from a Boltzmann-like equation governing the evolution of a one-particle (i.e., one-neuron) probability density function. We demonstrate that this intuitive closure is a generalization of moment closures based on the maximum-entropy principle. By invoking maximum-entropy closures, we show how to systematically extend this kinetic theory to obtain higher-order, kinetic equations and to include coupled networks of both excitatory and inhibitory neurons. PMID:16712338

9. ENZO: A Web Tool for Derivation and Evaluation of Kinetic Models of Enzyme Catalyzed Reactions

PubMed Central

Bevc, Staš; Konc, Janez; Stojan, Jure; Hodošček, Milan; Penca, Matej; Praprotnik, Matej; Janežič, Dušanka

2011-01-01

We describe a web tool ENZO (Enzyme Kinetics), a graphical interface for building kinetic models of enzyme catalyzed reactions. ENZO automatically generates the corresponding differential equations from a stipulated enzyme reaction scheme. These differential equations are processed by a numerical solver and a regression algorithm which fits the coefficients of differential equations to experimentally observed time course curves. ENZO allows rapid evaluation of rival reaction schemes and can be used for routine tests in enzyme kinetics. It is freely available as a web tool, at http://enzo.cmm.ki.si. PMID:21818304

10. Growth kinetics and morphology of polymer crystals

NASA Astrophysics Data System (ADS)

Toda, Akihiko

2007-03-01

Originating from the nature of chain folding, polymer single crystals are quite unique in the growth kinetics and morphology. The developments of the understanding in the past 50 years are discussed and the unsolved important issues will be suggested. Polymer single crystals are thin lamellae with the thickness in the order of 10nm determined by the period of chain folding, which keeps a constant value for the isothermal crystallization. The growth of polymer single crystals is modeled by the kinetics of creation and annihilation of growth steps on a rectangular substrate with the pre-determined thickness. The growth face is therefore regarded as a one-dimensional substrate and the kinks and anti-kinks on the substrate correspond to the growth steps propagating in the opposite directions. The kinetic equations of those kinks proposed by Seto and Frank well describe the transition of growth regime as a crossover from single nucleation to multi-nucleation on the basis of the standard model of chain-folded polymer crystallization with surface nucleation proposed by Lauritzen and Hoffman. However, the analysis of the growth kinetics and morphology of single crystals having curved growth front suggests an unusual behavior of the step propagation velocity. The anomaly can be accounted for by a self-poisoning of the growth step interrupted by polymer chains with folding shorter than required. An entropic barrier of pinning proposed by Sadler and Gilmer is a possible candidate of the self-poisoning and is in accordance with recent computer simulation results suggesting the kinetics on a rugged free energy landscape having a resemblance to protein folding. Therefore, the quantitative evaluation of the kinetic barriers of surface nucleation and pinning has been an important issue. In addition, examination of the kinetics of melting will have valuable information because melting of a crystal must be free from nucleation but can still be limited by the entropic barrier.

11. Point Genetics: A New Concept to Assess Neutron Kinetics

SciTech Connect

Klein Meulekamp, R.; Kuijper, J.C.; Schikorr, M.

2005-02-15

Point genetic equations are introduced. These equations are similar to the well-known point kinetic equations but characterize and couple individual fission generations in subcritical systems. Point genetic equations are able to describe dynamic behavior of source-driven subcritical systems on shorter timescales than is possible with point kinetic equations. Point genetic parameters can be used as a first-order characterization of the system and can be calculated using standard Monte Carlo techniques; the implementation in other calculational schemes seems straightforward. A Godiva sphere is considered to show the applicability of the point genetic equations in describing a detector response on short timescales. For this system the point genetic parameters are calculated and compared with reference calculations. Typical dynamic source behavior is considered by studying a transient in which the neutron source energy decreases from 20 to 1 MeV. For all cases studied, the point genetic equations are compared to full space-time kinetic solutions, and it is shown that point genetics performs well.

12. Numerical methods for high-dimensional probability density function equations

NASA Astrophysics Data System (ADS)

Cho, H.; Venturi, D.; Karniadakis, G. E.

2016-01-01

In this paper we address the problem of computing the numerical solution to kinetic partial differential equations involving many phase variables. These types of equations arise naturally in many different areas of mathematical physics, e.g., in particle systems (Liouville and Boltzmann equations), stochastic dynamical systems (Fokker-Planck and Dostupov-Pugachev equations), random wave theory (Malakhov-Saichev equations) and coarse-grained stochastic systems (Mori-Zwanzig equations). We propose three different classes of new algorithms addressing high-dimensionality: The first one is based on separated series expansions resulting in a sequence of low-dimensional problems that can be solved recursively and in parallel by using alternating direction methods. The second class of algorithms relies on truncation of interaction in low-orders that resembles the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) framework of kinetic gas theory and it yields a hierarchy of coupled probability density function equations. The third class of algorithms is based on high-dimensional model representations, e.g., the ANOVA method and probabilistic collocation methods. A common feature of all these approaches is that they are reducible to the problem of computing the solution to high-dimensional equations via a sequence of low-dimensional problems. The effectiveness of the new algorithms is demonstrated in numerical examples involving nonlinear stochastic dynamical systems and partial differential equations, with up to 120 variables.

13. Exact and Approximate Solutions for the Decades-Old Michaelis-Menten Equation: Progress-Curve Analysis through Integrated Rate Equations

ERIC Educational Resources Information Center

Golicnik, Marko

2011-01-01

The Michaelis-Menten rate equation can be found in most general biochemistry textbooks, where the time derivative of the substrate is a hyperbolic function of two kinetic parameters (the limiting rate "V", and the Michaelis constant "K"[subscript M]) and the amount of substrate. However, fundamental concepts of enzyme kinetics can be difficult to…

14. Macroscopic approximation to relativistic kinetic theory from a nonlinear closure

NASA Astrophysics Data System (ADS)

Peralta-Ramos, J.; Calzetta, E.

2013-02-01

We use a macroscopic description of a system of relativistic particles based on adding a nonequilibrium tensor to the usual hydrodynamic variables. The nonequilibrium tensor is linked to relativistic kinetic theory through a nonlinear closure suggested by the entropy production principle; the evolution equation is obtained by the method of moments and together with energy-momentum conservation closes the system. Transport coefficients are chosen to reproduce second-order fluid dynamics if gradients are small. We compare the resulting formalism to exact solutions of Boltzmann’s equation in 0+1 dimensions and show that it tracks kinetic theory better than second-order fluid dynamics.

15. A closure scheme for chemical master equations

PubMed Central

Smadbeck, Patrick; Kaznessis, Yiannis N.

2013-01-01

Probability reigns in biology, with random molecular events dictating the fate of individual organisms, and propelling populations of species through evolution. In principle, the master probability equation provides the most complete model of probabilistic behavior in biomolecular networks. In practice, master equations describing complex reaction networks have remained unsolved for over 70 years. This practical challenge is a reason why master equations, for all their potential, have not inspired biological discovery. Herein, we present a closure scheme that solves the master probability equation of networks of chemical or biochemical reactions. We cast the master equation in terms of ordinary differential equations that describe the time evolution of probability distribution moments. We postulate that a finite number of moments capture all of the necessary information, and compute the probability distribution and higher-order moments by maximizing the information entropy of the system. An accurate order closure is selected, and the dynamic evolution of molecular populations is simulated. Comparison with kinetic Monte Carlo simulations, which merely sample the probability distribution, demonstrates this closure scheme is accurate for several small reaction networks. The importance of this result notwithstanding, a most striking finding is that the steady state of stochastic reaction networks can now be readily computed in a single-step calculation, without the need to simulate the evolution of the probability distribution in time. PMID:23940327

16. Kinetic modeling of cell metabolism for microbial production.

PubMed

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. PMID:26724578

17. Kinetic model for erythrocyte aggregation.

PubMed

Bertoluzzo, S M; Bollini, A; Rasia, M; Raynal, A

1999-01-01

It is well known that light transmission through blood is the most widely utilized method for the study of erythrocyte aggregation. The curves obtained had been considered empirically as exponential functions. In consequence, the process becomes characterized by an only parameter that varies with all the process factors without discrimination. In the present paper a mathematical model for RBC aggregation process is deduced in accordance with von Smoluchowski's theory about the kinetics of colloidal particles agglomeration. The equation fitted the experimental pattern of the RBC suspension optical transmittance closely and contained two parameters that estimate the most important characteristics of the aggregation process separately, i.e., (1) average size of rouleaux at equilibrium and (2) aggregation rate. The evaluation of the method was assessed by some factors affecting erythrocyte aggregation, such as temperature, plasma dilutions, Dextran 500, Dextran 70 and PVP 360, at different media concentrations, cellular membrane alteration by the alkylating agent TCEA, and decrease of medium osmolarity. Results were interpreted considering the process characteristics estimated by the parameters, and there were also compared with similar studies carried out by other authors with other methods. This analysis allowed us to conclude that the equation proposed is reliable and useful to study erythrocyte aggregation. PMID:10660481

18. Equilibrium and kinetic data and process design for adsorption of Congo Red onto bentonite.

PubMed

Bulut, Emrah; Ozacar, Mahmut; Sengil, I Ayhan

2008-06-15

The adsorption of Congo Red onto bentonite in a batch adsorber has been studied. Four kinetic models, the pseudo first- and second-order equations, the Elovich equation and the intraparticle diffusion equation, were selected to follow the adsorption process. Kinetic parameters; rate constants, equilibrium adsorption capacities and correlation coefficients, for each kinetic equation were calculated and discussed. It was shown that the adsorption of Congo Red onto bentonite could be described by the pseudo second-order equation. The experimental isotherm data were analyzed using the Langmuir, Freundlich and Temkin equations. Adsorption of Congo Red onto bentonite followed the Langmuir isotherm. A single stage batch adsorber was designed for different adsorbent mass/treated effluent volume ratios using the Langmuir isotherm. PMID:18055111

19. Kinetic theory for electrostatic waves due to transverse velocity shears

NASA Technical Reports Server (NTRS)

Ganguli, G.; Lee, Y. C.; Palmadesso, P. J.

1988-01-01

A kinetic theory in the form of an integral equation is provided to study the electrostatic oscillations in a collisionless plasma immersed in a uniform magnetic field and a nonuniform transverse electric field. In the low temperature limit the dispersion differential equation is recovered for the transverse Kelvin-Helmholtz modes for arbitrary values of K parallel, where K parallel is the component of the wave vector in the direction of the external magnetic field assumed in the z direction. For higher temperatures the ion-cyclotron-like modes described earlier in the literature by Ganguli, Lee and Plamadesso are recovered. In this article, the integral equation is reduced to a second-order differential equation and a study is made of the kinetic Kelvin-Helmholtz and ion-cyclotron-like modes that constitute the two branches of oscillation in a magnetized plasma including a transverse inhomogeneous dc electric field.

20. A study of the Sabatier-methanation reaction kinetics

NASA Technical Reports Server (NTRS)

Verostko, C. E.; Forsythe, R. K.

1974-01-01

The kinetics of the Sabatier methanation reaction, the reduction of carbon dioxide with hydrogen to methane and water, was investigated for 58 percent nickel on kieselguhr catalyst and 20 percent ruthenium on alumina catalyst. Differential rate data from an experimental program were correlated with a power function rate equation both for forward and reverse reactions. The kinetic parameters of activation energy, frequency rate constant and reaction order were determined for the rate equation. The values of these parameters were obtained from an Arrhenius plot of the experimental differential rate data. Also the carbon monoxide side reaction effect was measured and included in the correlation of parameters. The reaction was found to fit the rate equation experimentally within the temperature range 421 K, where the reaction effectively begins, the 800 K where the reaction rate drops and departs from the rate equation form.

1. The Continuous Coagulation-FragmentationEquations with Diffusion

NASA Astrophysics Data System (ADS)

Laurençot, Philippe; Mischler, Stéphane

Existence of global weak solutions to the continuous coagulation-fragmentation equations with diffusion is investigated when the kinetic coefficients satisfy a detailed balance condition or the coagulation coefficient enjoys a monotonicity condition. Our approach relies on weak and strong compactness methods in L1 in the spirit of the DiPerna-Lions theory for the Boltzmann equation. Under the detailed balance condition the large-time behaviour is also studied.

2. Chemical Kinetics Database

National Institute of Standards and Technology Data Gateway

SRD 17 NIST Chemical Kinetics Database (Web, free access)   The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000.

3. A "Stationery" Kinetics Experiment.

ERIC Educational Resources Information Center

Hall, L.; Goberdhansingh, A.

1988-01-01

Describes a simple redox reaction that occurs between potassium permanganate and oxalic acid that can be used to prepare an interesting disappearing ink for demonstrating kinetics for introductory chemistry. Discusses laboratory procedures and factors that influence disappearance times. (CW)

4. Enzyme Kinetics in Microgravity

NASA Astrophysics Data System (ADS)

Liu, C. C.; Licata, V. J.

2010-04-01

The kinetics of some enzymes have been found to be enhanced by the microgravity environment. This is a relatively small effect, but is sufficient to have physiological effects and to impact pharmaceutical therapy in microgravity.

5. Solving Ordinary Differential Equations

NASA Technical Reports Server (NTRS)

Krogh, F. T.

1987-01-01

Initial-value ordinary differential equation solution via variable order Adams method (SIVA/DIVA) package is collection of subroutines for solution of nonstiff ordinary differential equations. There are versions for single-precision and double-precision arithmetic. Requires fewer evaluations of derivatives than other variable-order Adams predictor/ corrector methods. Option for direct integration of second-order equations makes integration of trajectory problems significantly more efficient. Written in FORTRAN 77.

6. Einstein equation at singularities

NASA Astrophysics Data System (ADS)

Stoica, Ovidiu-Cristinel

2014-02-01

Einstein's equation is rewritten in an equivalent form, which remains valid at the singularities in some major cases. These cases include the Schwarzschild singularity, the Friedmann-Lemaître-Robertson-Walker Big Bang singularity, isotropic singularities, and a class of warped product singularities. This equation is constructed in terms of the Ricci part of the Riemann curvature (as the Kulkarni-Nomizu product between Einstein's equation and the metric tensor).

7. Anisotropic interface kinetics and tilted cells in unidirectional solidification

NASA Technical Reports Server (NTRS)

Young, G. W.; Davis, S. H.; Brattkus, K.

1987-01-01

A nonlinear evolution equation is derived which governs the cellular structure of a binary alloy with a small segregation coefficient, including the effects of anisotropic interface kinetics. This equation, applicable to long-wave instabilities of a planar interface, describes the spatial pattern of the growing disturbances. The presence of anisotropy causes the cells to grow at an angle to the normal of the planar front. This transition to a cellular morphology is shown to be a subcritical instability.

8. Chemical gas-dynamics beyond Wang Chang-Uhlenbeck's kinetics

SciTech Connect

Kolesnichenko, Evgeniy G.; Gorbachev, Yuriy E.

2014-12-09

Wang Chang-Uhlenbeck equation does not give possibility to take into account intermolecular processes such as redistribution of the energy among different degrees of freedom. The modification of the generalized Wang Chang-Uhlenbeck equation including such processes is proposed. It allows to study for instance the kinetics of non-radiative transitions. Limitations of this approach are connected with the requirements of absence of polarization of rotational momentum and phases of intermolecular vibrations.

9. What Makes a Chemical Equation an Equation?

ERIC Educational Resources Information Center

Fensham, Peter J.; Lui, Julia

2001-01-01

Explores how well chemistry graduates preparing for teaching can recognize the similarities and differences between the uses of the word "equation" in mathematics and in chemistry. Reports that the conservation similarities were much less frequently recognized than those involved in the creation of new entities. (Author/MM)

10. Octonic Gravitational Field Equations

NASA Astrophysics Data System (ADS)

Demir, Süleyman; Tanişli, Murat; Tolan, Tülay

2013-08-01

Generalized field equations of linear gravity are formulated on the basis of octons. When compared to the other eight-component noncommutative hypercomplex number systems, it is demonstrated that associative octons with scalar, pseudoscalar, pseudovector and vector values present a convenient and capable tool to describe the Maxwell-Proca-like field equations of gravitoelectromagnetism in a compact and simple way. Introducing massive graviton and gravitomagnetic monopole terms, the generalized gravitational wave equation and Klein-Gordon equation for linear gravity are also developed.

11. Octonic massless field equations

NASA Astrophysics Data System (ADS)

Demir, Süleyman; Tanişli, Murat; Kansu, Mustafa Emre

2015-05-01

In this paper, it is proven that the associative octons including scalar, pseudoscalar, pseudovector and vector values are convenient and capable tools to generalize the Maxwell-Dirac like field equations of electromagnetism and linear gravity in a compact and simple way. Although an attempt to describe the massless field equations of electromagnetism and linear gravity needs the sixteen real component mathematical structures, it is proved that these equations can be formulated in terms of eight components of octons. Furthermore, the generalized wave equation in terms of potentials is derived in the presence of electromagnetic and gravitational charges (masses). Finally, conservation of energy concept has also been investigated for massless fields.

12. Generalized quantum kinetic expansion: Time scale separation between intra-cluster and inter-cluster kinetics

SciTech Connect

Tang, Zhoufei; Gong, Zhihao; Wu, Jianlan

2015-09-14

For a general two-cluster network, a new methodology of the cluster-based generalized quantum kinetic expansion (GQKE) is developed in the matrix formalism under two initial conditions: the local cluster equilibrium and system-bath factorized states. For each initial condition, the site population evolution follows exactly a distinct closed equation, where all the four terms involved are systematically expanded over inter-cluster couplings. For the system-bath factorized initial state, the numerical investigation of the two models, a biased (2, 1)-site system and an unbiased (2, 2)-site system, verifies the reliability of the GQKE and the relevance of higher-order corrections. The time-integrated site-to-site rates and the time evolution of site population reveal the time scale separation between intra-cluster and inter-cluster kinetics. The population evolution of aggregated clusters can be quantitatively described by the approximate cluster Markovian kinetics.

13. Construction and accuracy of partial differential equation approximations to the chemical master equation.

PubMed

Grima, Ramon

2011-11-01

The mesoscopic description of chemical kinetics, the chemical master equation, can be exactly solved in only a few simple cases. The analytical intractability stems from the discrete character of the equation, and hence considerable effort has been invested in the development of Fokker-Planck equations, second-order partial differential equation approximations to the master equation. We here consider two different types of higher-order partial differential approximations, one derived from the system-size expansion and the other from the Kramers-Moyal expansion, and derive the accuracy of their predictions for chemical reactive networks composed of arbitrary numbers of unimolecular and bimolecular reactions. In particular, we show that the partial differential equation approximation of order Q from the Kramers-Moyal expansion leads to estimates of the mean number of molecules accurate to order Ω(-(2Q-3)/2), of the variance of the fluctuations in the number of molecules accurate to order Ω(-(2Q-5)/2), and of skewness accurate to order Ω(-(Q-2)). We also show that for large Q, the accuracy in the estimates can be matched only by a partial differential equation approximation from the system-size expansion of approximate order 2Q. Hence, we conclude that partial differential approximations based on the Kramers-Moyal expansion generally lead to considerably more accurate estimates in the mean, variance, and skewness than approximations of the same order derived from the system-size expansion. PMID:22181475

14. Study of the kinetics of catalytic decomposition of hydrazine vapors on palladium

NASA Technical Reports Server (NTRS)

Khomenko, A. A.; Apelbaum, L. O.

1987-01-01

The decomposition rates of N2H4 on a palladium surface are studied. Experiments were conducted in a circulating unit at atmosphere pressure. The experimental method is described. The laws found for the reaction kinetics are explained by equations.

15. Unified kinetic formulation of incoherent waves propagating in nonlinear media with noninstantaneous response

SciTech Connect

Garnier, Josselin; Picozzi, Antonio

2010-03-15

This article presents a unified kinetic formulation of partially coherent nonlinear optical waves propagating in a noninstantaneous response Kerr medium. We derive a kinetic equation that combines the weak Langmuir turbulence kinetic equation and a Vlasov-like equation within a general framework: It describes the evolution of the spectrum of a random field that exhibits a quasistationary statistics in the presence of a noninstantaneous nonlinear response. The kinetic equation sheds new light on the dynamics of partially coherent nonlinear waves and allows for a qualitative interpretation of the interplay between the noninstantaneous nonlinearity and the nonstationary statistics of the incoherent field. It is shown that the incoherent modulational instability of a random nonlinear wave can be suppressed by the noninstantaneous nonlinear response. Moreover, incoherent modulational instability can prevent the generation of spectral incoherent solitons.

16. Comparison of Boltzmann equations with quantum dynamics for scalar fields

SciTech Connect

Lindner, Manfred; Mueller, Markus Michael

2006-06-15

Boltzmann equations are often used to study the thermal evolution of particle reaction networks. Prominent examples are the computation of the baryon asymmetry of the universe and the evolution of the quark-gluon plasma after relativistic heavy ion collisions. However, Boltzmann equations are only a classical approximation of the quantum thermalization process which is described by the so-called Kadanoff-Baym equations. This raises the question how reliable Boltzmann equations are as approximations to the full Kadanoff-Baym equations. Therefore, we present in this paper a detailed comparison between the Kadanoff-Baym and Boltzmann equations in the framework of a scalar {phi}{sup 4} quantum field theory in 3+1 space-time dimensions. The obtained numerical solutions reveal significant discrepancies in the results predicted by both types of equations. Apart from quantitative discrepancies, on a qualitative level the universality respected by the Kadanoff-Baym equations is severely restricted in the case of Boltzmann equations. Furthermore, the Kadanoff-Baym equations strongly separate the time scales between kinetic and chemical equilibration. This separation of time scales is absent for the Boltzmann equation.

17. Bernoulli equation and flow over a mountain

NASA Astrophysics Data System (ADS)

Sun, Wen-Yih; Sun, Oliver M.

2015-12-01

The Bernoulli equation is applied to an air parcel which originates at a low level at the inflow region, climbs adiabatically over a mountain with an increase in velocity, then descends on the lee side and forms a strong downslope wind. The parcel departs from hydrostatic equilibrium during its vertical motion. The air parcel can be noticeably cooler than the temperature calculated from adiabatic lapse rate, which allows part of enthalpy to be converted to kinetic energy and produces a stronger wind at mountain peak and a severe downslope wind on the lee side. It was found that the hydrostatic assumption tends to suppress the conversion from enthalpy to kinetic energy. It is also shown that the Froude number defined in the atmosphere is equal to the ratio of kinetic energy to the potential energy, same as in Boussinesq fluid. But in the atmosphere, the Froude number cannot be used to determine whether a parcel can move over a mountain or not, unless the vertical motion is weak and the system is near hydrostatic equilibrium. Numerical simulations confirm that except in highly turbulent areas, the potential temperature and Bernoulli function are almost conserved along the streamline, as well as the change of kinetic energy comes from the change of enthalpy instead of potential energy.

18. Octonic Massive Field Equations

NASA Astrophysics Data System (ADS)

Demir, Süleyman; Kekeç, Seray

2016-03-01

In the present paper we propose the octonic form of massive field equations based on the analogy with electromagnetism and linear gravity. Using the advantages of octon algebra the Maxwell-Dirac-Proca equations have been reformulated in compact and elegant way. The energy-momentum relations for massive field are discussed.

19. On the Diophantine equation

NASA Astrophysics Data System (ADS)

Zahari, N. M.; Sapar, S. H.; Mohd Atan, K. A.

2013-04-01

This paper discusses an integral solution (a, b, c) of the Diophantine equations x3n+y3n = 2z2n for n ≥ 2 and it is found that the integral solution of these equation are of the form a = b = t2, c = t3 for any integers t.

20. The lens equation revisited

NASA Astrophysics Data System (ADS)

Molesini, Giuseppe

2005-02-01

Problems in the general validity of the lens equations are reported, requiring an assessment of the conditions for correct use. A discussion is given on critical behaviour of the lens equation, and a sign and meaning scheme is provided so that apparent inconsistencies are avoided.

1. Octonic Massive Field Equations

NASA Astrophysics Data System (ADS)

Demir, Süleyman; Kekeç, Seray

2016-07-01

In the present paper we propose the octonic form of massive field equations based on the analogy with electromagnetism and linear gravity. Using the advantages of octon algebra the Maxwell-Dirac-Proca equations have been reformulated in compact and elegant way. The energy-momentum relations for massive field are discussed.

2. Reduced Braginskii equations

SciTech Connect

Yagi, M.; Horton, W. )

1994-07-01

A set of reduced Braginskii equations is derived without assuming flute ordering and the Boussinesq approximation. These model equations conserve the physical energy. It is crucial at finite [beta] that the perpendicular component of Ohm's law be solved to ensure [del][center dot][bold j]=0 for energy conservation.

3. Linear Equations: Equivalence = Success

ERIC Educational Resources Information Center

Baratta, Wendy

2011-01-01

The ability to solve linear equations sets students up for success in many areas of mathematics and other disciplines requiring formula manipulations. There are many reasons why solving linear equations is a challenging skill for students to master. One major barrier for students is the inability to interpret the equals sign as anything other than…

4. Wave kinetics of random fibre lasers

PubMed Central

Churkin, D V.; Kolokolov, I V.; Podivilov, E V.; Vatnik, I D.; Nikulin, M A.; Vergeles, S S.; Terekhov, I S.; Lebedev, V V.; Falkovich, G.; Babin, S A.; Turitsyn, S K.

2015-01-01

Traditional wave kinetics describes the slow evolution of systems with many degrees of freedom to equilibrium via numerous weak non-linear interactions and fails for very important class of dissipative (active) optical systems with cyclic gain and losses, such as lasers with non-linear intracavity dynamics. Here we introduce a conceptually new class of cyclic wave systems, characterized by non-uniform double-scale dynamics with strong periodic changes of the energy spectrum and slow evolution from cycle to cycle to a statistically steady state. Taking a practically important example—random fibre laser—we show that a model describing such a system is close to integrable non-linear Schrödinger equation and needs a new formalism of wave kinetics, developed here. We derive a non-linear kinetic theory of the laser spectrum, generalizing the seminal linear model of Schawlow and Townes. Experimental results agree with our theory. The work has implications for describing kinetics of cyclical systems beyond photonics. PMID:25645177

5. Kinetic equilibria of very high- β plasmas

NASA Astrophysics Data System (ADS)

Steinhauer, Loren; TAE Team

2015-11-01

Plasma equilibria with many large ion orbits, such as an advanced beam-driven field-reversed configuration, are neither static (Grad-Shafranov) nor describable as a flowing, multi-fluid. A fully-kinetic treatment of the ions is essential for such high- β plasmas. A kinetic equilibrium is needed to properly support realistic stability and transport analyses, both of which are strongly affected by large-orbit ions. A hybrid equilibrium model has been developed with a fully-kinetic treatment of both thermal ions and a rapidly-rotating beam-ion'' component, such as produced by neutral beam injection, relevant to the C-2U experiments at TAE. It employs analytic Vlasov solutions in that the distribution depends only on the two constants of motion, the Hamiltonian (H) and the canonical angular momentum (Pθ) . Electrons are treated as a pressure-bearing fluid. Since realistic forms of f (H ,Pθ) are affected by collisions, f is limited to solutions of a simplified Fokker-Planck equation. Importantly, a kinetic end-loss condition applies to unconfined ions, using a particle sink at a rate consistent with Monte-Carlo-like simulations of end loss accounting for a strong end mirror.

6. Numerical Solutions of the Complete Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Robinson, David F.; Hassan, H. A.

1997-01-01

This report details the development of a new two-equation turbulence closure model based on the exact turbulent kinetic energy k and the variance of vorticity, zeta. The model, which is applicable to three dimensional flowfields, employs one set of model constants and does not use damping or wall functions, or geometric factors.

7. Alternative Analysis of the Michaelis-Menten Equations

ERIC Educational Resources Information Center

Krogstad, Harald E.; Dawed, Mohammed Yiha; Tegegne, Tadele Tesfa

2011-01-01

Courses in mathematical modelling are always in need of simple, illustrative examples. The Michaelis-Menten reaction kinetics equations have been considered to be a basic example of scaling and singular perturbation. However, the leading order approximations do not easily show the expected behaviour, and this note proposes a different perturbation…

8. Gluon transport equations with condensate in the small angle approximation

NASA Astrophysics Data System (ADS)

Blaizot, Jean-Paul; Liao, Jinfeng

2016-05-01

We derive the set of kinetic equations that control the evolution of gluons in the presence of a condensate. We show that the dominant singularities remain logarithmic when the scattering involves particles in the condensate. This allows us to define a consistent small angle approximation.

9. Applicability of competitive and noncompetitive kinetics to the reductive dechlorination of chlorinated ethenes

SciTech Connect

Garant, H.; Lynd, L.

1998-03-20

Reductive dechlorination of chlorinated ethenes has typically been modeled using standard Michaelis-Menten kinetic equations, implying that each dechlorination step is catalyzed by a unique biological factor. An alternative kinetic model is based on the assumption that all steps are mediated by a single factor. These two options are considered in the context of chlorinated ethene degradation by a previously characterized anaerobic culture. Competitive kinetics afford better chi-squared and visual fits of the data set tested.

10. Comparative evaluation of adsorption kinetics of diclofenac and isoproturon by activated carbon.

PubMed

Torrellas, Silvia A; Rodriguez, Araceli R; Escudero, Gabriel O; Martín, José María G; Rodriguez, Juan G

2015-01-01

Adsorption mechanism of diclofenac and isoproturon onto activated carbon has been proposed using Langmuir and Freundlich isotherms. Adsorption capacity and optimum adsorption isotherms were predicted by nonlinear regression method. Different kinetic equations, pseudo-first-order, pseudo-second-order, intraparticle diffusion model and Bangham kinetic model, were applied to study the adsorption kinetics of emerging contaminants on activated carbon in two aqueous matrices. PMID:26301850

11. Multiple alternative substrate kinetics.

PubMed

Anderson, Vernon E

2015-11-01

The specificity of enzymes for their respective substrates has been a focal point of enzyme kinetics since the initial characterization of metabolic chemistry. Various processes to quantify an enzyme's specificity using kinetics have been utilized over the decades. Fersht's definition of the ratio kcat/Km for two different substrates as the "specificity constant" (ref [7]), based on the premise that the important specificity existed when the substrates were competing in the same reaction, has become a consensus standard for enzymes obeying Michaelis-Menten kinetics. The expansion of the theory for the determination of the relative specificity constants for a very large number of competing substrates, e.g. those present in a combinatorial library, in a single reaction mixture has been developed in this contribution. The ratio of kcat/Km for isotopologs has also become a standard in mechanistic enzymology where kinetic isotope effects have been measured by the development of internal competition experiments with extreme precision. This contribution extends the theory of kinetic isotope effects to internal competition between three isotopologs present at non-tracer concentrations in the same reaction mix. This article is part of a special issue titled: Enzyme Transition States from Theory and Experiment. PMID:26051088

12. Kinetics of the alkaline dehydrochlorination of the alpha-isomer of hexachlorocyclohexane upon micellar catalysis

SciTech Connect

Sirovskii, F.S.; Berlin, E.R.; Molodchikov, S.I.; Skibinskaya, M.B.; Stepanova, N.N.; Treger, Yu.A.

1986-11-01

A study was carried out on the kinetics of the alkaline dehydrochlorination of the ..cap alpha..-isomer of hexachlorocyclohexane in the pH range from 7 to 10 upon catalysis by benzyldimethylalkylammonium chloride (BDMAC) micelles. The activation parameters and kinetic equation were found.

13. Kinetic theory for dilute cohesive granular gases with a square well potential.

PubMed

Takada, Satoshi; Saitoh, Kuniyasu; Hayakawa, Hisao

2016-07-01

We develop the kinetic theory of dilute cohesive granular gases in which the attractive part is described by a square well potential. We derive the hydrodynamic equations from the kinetic theory with the microscopic expressions for the dissipation rate and the transport coefficients. We check the validity of our theory by performing the direct simulation Monte Carlo. PMID:27575205

14. A KINETIC MODEL FOR CELL DENSITY DEPENDENT BACTERIAL TRANSPORT IN POROUS MEDIA

EPA Science Inventory

A kinetic transport model with the ability to account for variations in cell density of the aqueous and solid phases was developed for bacteria in porous media. Sorption kinetics in the advective-dispersive-sorptive equation was described by assuming that adsorption was proportio...

15. Kinetic theory for dilute cohesive granular gases with a square well potential

NASA Astrophysics Data System (ADS)

Takada, Satoshi; Saitoh, Kuniyasu; Hayakawa, Hisao

2016-07-01

We develop the kinetic theory of dilute cohesive granular gases in which the attractive part is described by a square well potential. We derive the hydrodynamic equations from the kinetic theory with the microscopic expressions for the dissipation rate and the transport coefficients. We check the validity of our theory by performing the direct simulation Monte Carlo.

16. Reexamining Michaelis-Menten Enzyme Kinetics for Xanthine Oxidase

ERIC Educational Resources Information Center

Bassingthwaighte, James B.; Chinn, Tamara M.

2013-01-01

Abbreviated expressions for enzyme kinetic expressions, such as the Michaelis-Menten (M-M) equations, are based on the premise that enzyme concentrations are low compared with those of the substrate and product. When one does progress experiments, where the solute is consumed during conversion to form a series of products, the idealized conditions…

17. Equilibrium Binding and Steady-State Enzyme Kinetics.

ERIC Educational Resources Information Center

Dunford, H. Brian

1984-01-01

Points out that equilibrium binding and steady-state enzyme kinetics have a great deal in common and that related equations and error analysis can be cast in identical forms. Emphasizes that if one type of problem solution is taught, the other is also taught. Various methods of data analysis are evaluated. (JM)

18. Derivation of the Freundlich Adsorption Isotherm from Kinetics

ERIC Educational Resources Information Center

Skopp, Joseph

2009-01-01

The Freundlich adsorption isotherm is a useful description of adsorption phenomena. It is frequently presented as an empirical equation with little theoretical basis. In fact, a variety of derivations exist. Here a new derivation is presented using the concepts of fractal reaction kinetics. This derivation provides an alternative basis for…

19. Thermoluminescence kinetics of pyrite (FeS sub 2 )

SciTech Connect

Silverman, A.N; Levy, P.W.; Kierstead, J.A.

1990-01-01

Thermoluminescence of pyrite (FeS{sub 2}) has been investigated to study the kinetics of single peak glow curves. The material used normally exhibits one large and four small peaks. However a glow curve can be obtained with only the large single peak that is suitable for testing thermoluminescence kinetics. Glow curves from aliquots of a single natural pyrite crystal studied in detail contain two low intensity thermoluminescence (TL) peaks at {approx}90{degree} and {approx}250{degree}C, and two chemiluminescence (CL) peaks at {approx}350{degree} and {approx}430{degree}C. The CL peaks are largely removable by initially heating the sample chamber under vacuum, pumping through liquid nitrogen traps, and recording glow curves immediately after helium is introduced, procedures which reduce system contaminants that react with pyrite. The shape, the variation of the temperature of the peak maximum (T{sub max}) with dose, and the retrapping to recombination cross section ratio {sigma} of the large 250{degree}C peak are better described by the general one trap (GOT) kinetic equation, the basic equation from which the 1st and 2nd order kinetic equations are obtained as special cases (see text), than by the 1st and 2nd order equations. 12 refs., 7 figs.

20. Fast algorithms for combustion kinetics calculations: A comparison

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1984-01-01

To identify the fastest algorithm currently available for the numerical integration of chemical kinetic rate equations, several algorithms were examined. Findings to date are summarized. The algorithms examined include two general-purpose codes EPISODE and LSODE and three special-purpose (for chemical kinetic calculations) codes CHEMEQ, CRK1D, and GCKP84. In addition, an explicit Runge-Kutta-Merson differential equation solver (IMSL Routine DASCRU) is used to illustrate the problems associated with integrating chemical kinetic rate equations by a classical method. Algorithms were applied to two test problems drawn from combustion kinetics. These problems included all three combustion regimes: induction, heat release and equilibration. Variations of the temperature and species mole fraction are given with time for test problems 1 and 2, respectively. Both test problems were integrated over a time interval of 1 ms in order to obtain near-equilibration of all species and temperature. Of the codes examined in this study, only CREK1D and GCDP84 were written explicitly for integrating exothermic, non-isothermal combustion rate equations. These therefore have built-in procedures for calculating the temperature.

1. Renormalizing the Kinetic Energy Operator in Elementary Quantum Mechanics

ERIC Educational Resources Information Center

Coutinho, F. A. B.; Amaku, M.

2009-01-01

In this paper, we consider solutions to the three-dimensional Schrodinger equation of the form [psi](r) = u(r)/r, where u(0) [is not equal to] 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly…

2. Sigmoid kinetics of protein crystal nucleation

NASA Astrophysics Data System (ADS)

Nanev, Christo N.; Tonchev, Vesselin D.

2015-10-01

A non-linear differential equation expressing the new phase nucleation rate in the different steps of the process (non-stationary and stationary nucleation and in the plateau region) is derived from basic principles of the nucleation theory. It is shown that one and the same sigmoid (logistic) function describes both nucleation scenarios: the one according to the classical theory, and the other according to the modern two-stage mechanism of protein crystal formation. Comparison to experimental data on both insulin crystal nucleation kinetics and on bovine β-lactoglobulin crystallization indicates a good agreement with the sigmoidal prediction. Experimental data for electrochemical nucleation and glass crystallization obey the same sigmoid time dependence, and suggest universality of this nucleation kinetics law.

3. Urea kinetic modeling: comparing the options.

PubMed

Hoenich, N A; Keir, M J; Hildreth, K; Woffindin, C; Goodall, R; Vanholder, R; Ward, M K

1993-09-01

In this study 6 commercially produced kinetic modeling packages utilizing a variable volume, single pool urea model, as well as formulae to determine the delivery of therapy, have been compared by applying to each the same set of rigorously collected data for a group of 12 patients. Comparison of the kinetically derived parameters (urea generation rate [G], urea distribution volume [V], delivery of therapy [Kt/V], and normalized protein catabolic rate [nPCR]) showed that the values obtained for both G and V differed between packages owing to the numerical methods and the clearance used in the solution of the differential equations. Although a broad agreement between the values established for Kt/V and nPCR was noted, the 95% limits of agreement indicated that it would be prudent to exercise caution when comparing results established by different modeling packages. PMID:8240076

4. Processes of aggression described by kinetic method

SciTech Connect

Aristov, V. V.; Ilyin, O.

2014-12-09

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

5. Positron kinetics in an idealized PET environment

PubMed Central

Robson, R. E.; Brunger, M. J.; Buckman, S. J.; Garcia, G.; Petrović, Z. Lj.; White, R. D.

2015-01-01

The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the ‘gas-phase’ assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations. PMID:26246002

6. Kinetic study and mechanism of Niclosamide degradation.

PubMed

Zaazaa, Hala E; Abdelrahman, Maha M; Ali, Nouruddin W; Magdy, Maimana A; Abdelkawy, M

2014-11-11

A spectrophotometric kinetic study of Niclosamide alkaline degradation as a function of drug concentration, alkaline concentration and temperature has been established utilizing double divisor-ratio spectra spectrophotometric method. The developed method allowed determination of Niclosamide in presence of its alkaline degradation products; namely; 2-chloro-4-nitro aniline (DEG I) and 5-chloro salicylic acid (DEG II) with characterization of its degradation mechanism. It was found that degradation kinetic of Niclosamide followed pseudo-first order under the established experimental conditions with a degradation rate constant (k) of 0.0829 mol/h and half life (t1/2) of 8.35 h. The overall degradation rate constant as a function of the temperature under the given conditions obeyed Arrhenius equation where the activation energy was calculated to be 3.41 kcal/mol. PMID:24892546

7. Processes of aggression described by kinetic method

NASA Astrophysics Data System (ADS)

Aristov, V. V.; Ilyin, O.

2014-12-01

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

8. Positron kinetics in an idealized PET environment.

PubMed

Robson, R E; Brunger, M J; Buckman, S J; Garcia, G; Petrović, Z Lj; White, R D

2015-01-01

The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the 'gas-phase' assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations. PMID:26246002

9. Positron kinetics in an idealized PET environment

NASA Astrophysics Data System (ADS)

Robson, R. E.; Brunger, M. J.; Buckman, S. J.; Garcia, G.; Petrović, Z. Lj.; White, R. D.

2015-08-01

The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the ‘gas-phase’ assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations.

10. Kinetic study and mechanism of Niclosamide degradation

NASA Astrophysics Data System (ADS)

Zaazaa, Hala E.; Abdelrahman, Maha M.; Ali, Nouruddin W.; Magdy, Maimana A.; Abdelkawy, M.

2014-11-01

A spectrophotometric kinetic study of Niclosamide alkaline degradation as a function of drug concentration, alkaline concentration and temperature has been established utilizing double divisor-ratio spectra spectrophotometric method. The developed method allowed determination of Niclosamide in presence of its alkaline degradation products; namely; 2-chloro-4-nitro aniline (DEG I) and 5-chloro salicylic acid (DEG II) with characterization of its degradation mechanism. It was found that degradation kinetic of Niclosamide followed pseudo-first order under the established experimental conditions with a degradation rate constant (k) of 0.0829 mol/h and half life (t1/2) of 8.35 h. The overall degradation rate constant as a function of the temperature under the given conditions obeyed Arrhenius equation where the activation energy was calculated to be 3.41 kcal/mol.

11. POLARIZATION AND COMPRESSIBILITY OF OBLIQUE KINETIC ALFVEN WAVES

SciTech Connect

Hunana, P.; Goldstein, M. L.; Passot, T.; Sulem, P. L.; Laveder, D.; Zank, G. P.

2013-04-01

It is well known that a complete description of the solar wind requires a kinetic description and that, particularly at sub-proton scales, kinetic effects cannot be ignored. It is nevertheless usually assumed that at scales significantly larger than the proton gyroscale r{sub L} , magnetohydrodynamics or its extensions, such as Hall-MHD and two-fluid models with isotropic pressures, provide a satisfactory description of the solar wind. Here we calculate the polarization and magnetic compressibility of oblique kinetic Alfven waves and show that, compared with linear kinetic theory, the isotropic two-fluid description is very compressible, with the largest discrepancy occurring at scales larger than the proton gyroscale. In contrast, introducing anisotropic pressure fluctuations with the usual double-adiabatic (or CGL) equations of state yields compressibility values which are unrealistically low. We also show that both of these classes of fluid models incorrectly describe the electric field polarization. To incorporate linear kinetic effects, we use two versions of the Landau fluid model that include linear Landau damping and finite Larmor radius (FLR) corrections. We show that Landau damping is crucial for correct modeling of magnetic compressibility, and that the anisotropy of pressure fluctuations should not be introduced without taking into account the Landau damping through appropriate heat flux equations. We also show that FLR corrections to all the retained fluid moments appear to be necessary to yield the correct polarization. We conclude that kinetic effects cannot be ignored even for kr{sub L} << 1.

12. Prediction of Kinetic Isotope Effects for Various Hydride Transfer Reactions Using a New Kinetic Model.

PubMed

Shen, Guang-Bin; Xia, Ke; Li, Xiu-Tao; Li, Jun-Ling; Fu, Yan-Hua; Yuan, Lin; Zhu, Xiao-Qing

2016-03-24

In this work, kinetic isotope effect (KIEself) values of 68 hydride self-exchange reactions, XH(D) + X(+) → X(+) + XH(D), in acetonitrile at 298 K were determined using a new experimental method. KIE values of 4556 hydride cross transfer reactions, XH(D) + Y(+) → X(+) + YH(D), in acetonitrile were estimated from the 68 determined KIEself values of hydride self-exchange reactions using a new KIE relation formula derived from Zhu's kinetic equation and the reliability of the estimations was verified using different experimental methods. A new KIE kinetic model to explain and predict KIE values was developed according to Zhu's kinetic model using two different Morse free energy curves instead of one Morse free energy curve in the traditional KIE theories to describe the free energy changes of X-H bond and X-D bond dissociation in chemical reactions. The most significant contribution of this paper to KIE theory is to build a new KIE kinetic model, which can be used to not only uniformly explain the various (normal, enormous and inverse) KIE values but also safely prodict KIE values of various chemical reactions. PMID:26938149

13. Vortex stretching as a mechanism for quantum kinetic energy decay.

PubMed

Kerr, Robert M

2011-06-01

A pair of perturbed antiparallel quantum vortices, simulated using the three-dimensional Gross-Pitaevskii equations, is shown to be unstable to vortex stretching. This results in kinetic energy K(∇ψ) being converted into interaction energy E(I) and eventually local kinetic energy depletion that is similar to energy decay in a classical fluid, even though the governing equations are Hamiltonian and energy conserving. The intermediate stages include the generation of vortex waves, their deepening, multiple reconnections, the emission of vortex rings and phonons, and the creation of an approximately -5/3 kinetic energy spectrum at high wave numbers. All of the wave generation and reconnection steps follow from interactions between the two original vortices. A four vortex example is given to demonstrate that some of these steps might be general. PMID:21702604

14. Change of wandering pattern with anisotropy in step kinetics

NASA Astrophysics Data System (ADS)

Sato, Masahide; Uwaha, Makio

1999-03-01

We study the effect of anisotropy in step kinetics on the wandering instability of an isolated step. With the asymmetry of the step kinetics, a straight step becomes unstable for long wavelength fluctuations and wanders when the step velocity exceeds a critical value. Near the threshold of the instability, an isotropic step obeys the Kuramoto-Sivashinsky equation, HT=- HXX- HXXXX+( H2X/2), and shows a chaotic pattern. A step with anisotropic kinetics obeys the Benney equation, HT=- HXX- δHXXX- HXXXX+( H2X/2), and the wandering pattern changes: when the anisotropy is strong, δ≫1, the step shows a regular pattern. Near the threshold of the instability, the anisotropy effect becomes strong while that of the step stiffness becomes weak.

15. Kinetics of the synthesis of dimethylsulphide from methanethiol

SciTech Connect

Mashkin, V.Yu.; Grunval`d, V.R.; Borodin, B.P.

1993-12-31

Using the gradient-free method in the presence of an alumina catalyst, we have studied the kinetics of disproportionation of methanethiol to dimethylsulphide and HS and the reaction of methanethiol with methanol at 320-420{degrees}C with initial concentrations of the reactants of 0.5-12 mmole/1 and a conversion of 10-65%. The kinetic orders of the reactions have been established from single-parameter relationships. The mechanism of formation of dimethylsulphide and dimethyl ether has been proposed, according to which the reaction proceeds via stages of dissociative chemisorption of the reactants, leading to surface methoxylation and subsequent reaction of the CH{sub 3}O groups with the methanethiol associatively adsorbed on the basic centres. Kinetic equations have been obtained which describe satisfactorily the process on the heterogeneous surface of the catalyst, and parameters of the model have been found. The equations are consistent with the postulated mechanism of the reaction.

16. Simulations of plasma sheaths using continuum kinetic models

NASA Astrophysics Data System (ADS)

Srinivasan, Bhuvana; Hakim, Ammar

2015-11-01

Understanding plasma sheath physics is important for the performance of devices such as Hall thrusters due to the effect of energetic particles on electrode erosion. Plasma sheath physics is studied using kinetic and multi-fluid models with relevance to secondary electron emissions and plasma-surface interactions. Continuum kinetic models are developed to directly solve the Vlasov-Poisson equation using the discontinuous Galerkin method for each of the ion and electron species. A steady-state sheath is simulated by including a simple model for a neutral fluid. Multi-fluid simulations for the plasma sheath are also performed using the discontinuous Galerkin method to solve a complete set of fluid equations for each of the ion and electron species. The kinetic plasma sheath is compared to a multi-fluid plasma sheath. Supported by Air Force Office of Scientific Research.

17. Purfication kinetics of beryllium during vacuum induction melting

NASA Technical Reports Server (NTRS)

Mukherjee, J. L.; Gupta, K. P.; Li, C. H.

1972-01-01

The kinetics of evaporation in binary alloys were quantitatively treated. The formalism so developed works well for several systems studied. The kinetics of purification of beryllium was studied through evaporation data actually acquired during vacuum induction melting. Normal evaporation equations are shown to be generally valid and useful for understanding the kinetics of beryllium purification. The normal evaporation analysis has been extended to cover cases of limited liquid diffusion. It was shown that under steady-state evaporation, the solute concentration near the surface may be up to six orders of magnitude different from the bulk concentration. Corrections for limited liquid diffusion are definitely needed for the highly evaporative solute elements, such as Zn, Mg, and Na, for which the computed evaporation times are improved by five orders of magnitude. The commonly observed logarithmic relation between evaporation time and final concentration further supports the validity of the normal evaporation equations.

18. [Mathematical depiction of the kinetics of thrombocyte aggregation].

PubMed

Verkhusha, V V; Vrzheshch, P V; Varfolomeev, S D

1991-01-01

A study was made of a model of platelet aggregation in shear flow taking into account the kinetics of intercellular fibrinogen bond formation limited by the turning time of the doublet of collided platelets. The energy curve for two platelets was calculated. One fibrinogen bond was sufficient to form a doublet stable in the flow. The equation for the rate of single platelet disappearance with regard to the kinetics of intercellular fibrinogen bond formation, the stochastic character of bond distribution on the contacts of collided platelets, hydrodynamically controlled time of their interaction was derived. Approximation of the obtained dependencies for the platelet aggregation rate by Hill's equation was suggested and its parameters were determined. A qualitative criterion for kinetic behavior of the system of aggregating platelets was introduced. PMID:1801457

19. Kinetic theory and long range correlations in moderately dense gases

SciTech Connect

Petrosky, T.; Prigogine, I.

1997-01-01

The complex spectral representation of the Liouville operator is applied to moderately dense gases interacting through hard-core potentials in arbitrary d-dimensional spaces. It is shown that Markovian kinetic equations exist for all d. This provides an answer to the long standing question do kinetic equations exist in two dimensional systems. The non-Markovian effects, such as the long-time tails for arbitrary n-mode coupling, are estimated by superposition of the Markovian evolutions in each subspace as introduced in our spectral decomposition. The long-time tail effects invalidate the traditional kinetic theory based on a truncation of BBGKY hierarchy for d < 4, as well as the Green-Kubo formalism, as there appear contributions of order t{sup -1}, t{sup -{1/2}},... coming from multiple mode-mode couplings even for d = 3.

20. The Effective Equation Method

NASA Astrophysics Data System (ADS)

Kuksin, Sergei; Maiocchi, Alberto

In this chapter we present a general method of constructing the effective equation which describes the behavior of small-amplitude solutions for a nonlinear PDE in finite volume, provided that the linear part of the equation is a hamiltonian system with a pure imaginary discrete spectrum. The effective equation is obtained by retaining only the resonant terms of the nonlinearity (which may be hamiltonian, or may be not); the assertion that it describes the limiting behavior of small-amplitude solutions is a rigorous mathematical theorem. In particular, the method applies to the three- and four-wave systems. We demonstrate that different possible types of energy transport are covered by this method, depending on whether the set of resonances splits into finite clusters (this happens, e.g. in case of the Charney-Hasegawa-Mima equation), or is connected (this happens, e.g. in the case of the NLS equation if the space-dimension is at least two). For equations of the first type the energy transition to high frequencies does not hold, while for equations of the second type it may take place. Our method applies to various weakly nonlinear wave systems, appearing in plasma, meteorology and oceanography.

1. Erbium hydride decomposition kinetics.

SciTech Connect

Ferrizz, Robert Matthew

2006-11-01

Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

2. Volterra difference equations

NASA Astrophysics Data System (ADS)

Sultana, Nasrin

This dissertation consists of five papers in which discrete Volterra equations of different types and orders are studied and results regarding the behavior of their solutions are established. The first paper presents some fundamental results about subexponential sequences. It also illustrates the subexponential solutions of scalar linear Volterra sum-difference equations are asymptotically stable. The exact value of the rate of convergence of asymptotically stable solutions is found by determining the asymptotic behavior of the transient renewal equations. The study of subexponential solutions is also continued in the second and third articles. The second paper investigates the same equation using the same process as considered in the first paper. The discussion focuses on a positive lower bound of the rate of convergence of the asymptotically stable solutions. The third paper addresses the rate of convergence of the solutions of scalar linear Volterra sum-difference equations with delay. The result is proved by developing the rate of convergence of transient renewal delay difference equations. The fourth paper discusses the existence of bounded solutions on an unbounded domain of more general nonlinear Volterra sum-difference equations using the Schaefer fixed point theorem and the Lyapunov direct method. The fifth paper examines the asymptotic behavior of nonoscillatory solutions of higher-order integro-dynamic equations and establishes some new criteria based on so-called time scales, which unifies and extends both discrete and continuous mathematical analysis. Beside these five research papers that focus on discrete Volterra equations, this dissertation also contains an introduction, a section on difference calculus, a section on time scales calculus, and a conclusion.

3. Stochastic Gauss equations

NASA Astrophysics Data System (ADS)

Pierret, Frédéric

2016-02-01

We derived the equations of Celestial Mechanics governing the variation of the orbital elements under a stochastic perturbation, thereby generalizing the classical Gauss equations. Explicit formulas are given for the semimajor axis, the eccentricity, the inclination, the longitude of the ascending node, the pericenter angle, and the mean anomaly, which are expressed in term of the angular momentum vector H per unit of mass and the energy E per unit of mass. Together, these formulas are called the stochastic Gauss equations, and they are illustrated numerically on an example from satellite dynamics.

4. Nonlinear ordinary difference equations

NASA Technical Reports Server (NTRS)

Caughey, T. K.

1979-01-01

Future space vehicles will be relatively large and flexible, and active control will be necessary to maintain geometrical configuration. While the stresses and strains in these space vehicles are not expected to be excessively large, their cumulative effects will cause significant geometrical nonlinearities to appear in the equations of motion, in addition to the nonlinearities caused by material properties. Since the only effective tool for the analysis of such large complex structures is the digital computer, it will be necessary to gain a better understanding of the nonlinear ordinary difference equations which result from the time discretization of the semidiscrete equations of motion for such structures.

5. Kinetic theory viscosity

NASA Astrophysics Data System (ADS)

Clarke, C. J.; Pringle, J. E.

2004-07-01

We show how the viscous evolution of Keplerian accretion discs can be understood in terms of simple kinetic theory. Although standard physics texts give a simple derivation of momentum transfer in a linear shear flow using kinetic theory, many authors, as detailed by Hayashi & Matsuda, have had difficulties applying the same considerations to a circular shear flow. We show here how this may be done, and note that the essential ingredients are to take proper account of, first, isotropy locally in the frame of the fluid and, secondly, the geometry of the mean flow.

6. A Comparison of IRT Equating and Beta 4 Equating.

ERIC Educational Resources Information Center

Kim, Dong-In; Brennan, Robert; Kolen, Michael

Four equating methods were compared using four equating criteria: first-order equity (FOE), second-order equity (SOE), conditional mean squared error (CMSE) difference, and the equipercentile equating property. The four methods were: (1) three parameter logistic (3PL) model true score equating; (2) 3PL observed score equating; (3) beta 4 true…

7. Amyloid growth: combining experiment and kinetic theory

NASA Astrophysics Data System (ADS)

Knowles, Tuomas; Cohen, Samuel; Vendruscolo, Michele; Dobson, Christopher

2012-02-01

The conversion of proteins from their soluble forms into fibrillar amyloid nanostructures is a general type of behaviour encountered for many different proteins in the context of disease as well as for the generation of a select class of functional materials in nature. This talk focuses on the problem of defining the rates of the individual molecular level processes involved in the overall conversion reaction. A master equation approach is discussedootnotetextCohen et al, J Chem Phys 2011, 135, 065106 ootnotetextKnowles et al, Science, 2009, 326, 1533-1537 and used in combination with kinetic measurements to yield mechanistic insights into the amyloid growth phenomenon.

8. Wealth redistribution in conservative linear kinetic models

NASA Astrophysics Data System (ADS)

Toscani, G.

2009-10-01

We introduce and discuss kinetic models for wealth distribution which include both taxation and uniform redistribution. The evolution of the continuous density of wealth obeys a linear Boltzmann equation where the background density represents the action of an external subject on the taxation mechanism. The case in which the mean wealth is conserved is analyzed in full details, by recovering the analytical form of the steady states. These states are probability distributions of convergent random series of a special structure, called perpetuities. Among others, Gibbs distribution appears as steady state in case of total taxation and uniform redistribution.

9. Analysis of Transition-Sensitized Turbulent Transport Equations

NASA Technical Reports Server (NTRS)

Rumsey, Christopher L.; Thacker, William D.; Gatski, Thomas B.; Grosch, Chester E,

2005-01-01

The dynamics of an ensemble of linear disturbances in boundary-layer flows at various Reynolds numbers is studied through an analysis of the transport equations for the mean disturbance kinetic energy and energy dissipation rate. Effects of adverse and favorable pressure-gradients on the disturbance dynamics are also included in the analysis Unlike the fully turbulent regime where nonlinear phase scrambling of the fluctuations affects the flow field even in proximity to the wall, the early stage transition regime fluctuations studied here are influenced cross the boundary layer by the solid boundary. The dominating dynamics in the disturbance kinetic energy and dissipation rate equations are described. These results are then used to formulate transition-sensitized turbulent transport equations, which are solved in a two-step process and applied to zero-pressure-gradient flow over a flat plate. Computed results are in good agreement with experimental data.

10. A kinetic-MHD model for low frequency phenomena

SciTech Connect

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 {tau} 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.

11. Submesoscale baroclinic instability and the Balance Equations

NASA Astrophysics Data System (ADS)

Grooms, Ian

2015-11-01

Ocean submesoscale baroclinic instability is studied in the framework of the Balance Equations. The Balance Equations are an intermediate model that includes balanced ageostrophic effects with higher accuracy than the quasigeostrophic approximation, but rules out unbalanced wave motions; as such, they are particularly suited to the study of baroclinic instability in submesoscale ocean dynamics. The linear baroclinic instability problem is developed in generality and then specialized to the case of constant vertical shear. The primary finding is that at low Richardson numbers the growth rate of some instability modes is increased compared to larger-scale quasigeostrophic dynamics, and that the increase can be attributed to both ageostrophic baroclinic production and shear production of perturbation energy. This suggests that the nonlinear development of submesoscale baroclinic instability will proceed more vigorously than mesoscale/quasigeostrophic, and may include a downscale/forward transfer of kinetic energy.

12. Ultrarelativistic decoupling transformation for generalized Dirac equations

NASA Astrophysics Data System (ADS)

Noble, J. H.; Jentschura, U. D.

2015-07-01

The Foldy-Wouthuysen transformation is known to uncover the nonrelativistic limit of a generalized Dirac Hamiltonian, lending an intuitive physical interpretation to the effective operators within Schrödinger-Pauli theory. We here discuss the opposite, ultrarelativistic limit which requires the use of a fundamentally different expansion where the leading kinetic term in the Dirac equation is perturbed by the mass of the particle and other interaction (potential) terms, rather than vice versa. The ultrarelativistic decoupling transformation is applied to free Dirac particles (in the Weyl basis) and to high-energy tachyons, which are faster-than-light particles described by a fully Lorentz-covariant equation. The effective gravitational interactions are found. For tachyons, the dominant gravitational interaction term in the high-energy limit is shown to be attractive and equal to the leading term for subluminal Dirac particles (tardyons) in the high-energy limit.

13. Diophantine Equations and Computation

NASA Astrophysics Data System (ADS)

Davis, Martin

Unless otherwise stated, we’ll work with the natural numbers: N = \\{0,1,2,3, dots\\}. Consider a Diophantine equation F(a1,a2,...,an,x1,x2,...,xm) = 0 with parameters a1,a2,...,an and unknowns x1,x2,...,xm For such a given equation, it is usual to ask: For which values of the parameters does the equation have a solution in the unknowns? In other words, find the set: \\{ mid exists x_1,ldots,x_m [F(a_1,ldots,x_1,ldots)=0] \\} Inverting this, we think of the equation F = 0 furnishing a definition of this set, and we distinguish three classes: a set is called Diophantine if it has such a definition in which F is a polynomial with integer coefficients. We write \\cal D for the class of Diophantine sets.

14. Regularized Structural Equation Modeling

PubMed Central

Jacobucci, Ross; Grimm, Kevin J.; McArdle, John J.

2016-01-01

A new method is proposed that extends the use of regularization in both lasso and ridge regression to structural equation models. The method is termed regularized structural equation modeling (RegSEM). RegSEM penalizes specific parameters in structural equation models, with the goal of creating easier to understand and simpler models. Although regularization has gained wide adoption in regression, very little has transferred to models with latent variables. By adding penalties to specific parameters in a structural equation model, researchers have a high level of flexibility in reducing model complexity, overcoming poor fitting models, and the creation of models that are more likely to generalize to new samples. The proposed method was evaluated through a simulation study, two illustrative examples involving a measurement model, and one empirical example involving the structural part of the model to demonstrate RegSEM’s utility. PMID:27398019

15. Nonlinear differential equations

SciTech Connect

Dresner, L.

1988-01-01

This report is the text of a graduate course on nonlinear differential equations given by the author at the University of Wisconsin-Madison during the summer of 1987. The topics covered are: direction fields of first-order differential equations; the Lie (group) theory of ordinary differential equations; similarity solutions of second-order partial differential equations; maximum principles and differential inequalities; monotone operators and iteration; complementary variational principles; and stability of numerical methods. The report should be of interest to graduate students, faculty, and practicing scientists and engineers. No prior knowledge is required beyond a good working knowledge of the calculus. The emphasis is on practical results. Most of the illustrative examples are taken from the fields of nonlinear diffusion, heat and mass transfer, applied superconductivity, and helium cryogenics.

16. Equations For Rotary Transformers

NASA Technical Reports Server (NTRS)

Salomon, Phil M.; Wiktor, Peter J.; Marchetto, Carl A.

1988-01-01

Equations derived for input impedance, input power, and ratio of secondary current to primary current of rotary transformer. Used for quick analysis of transformer designs. Circuit model commonly used in textbooks on theory of ac circuits.

17. Equating Training to Education.

ERIC Educational Resources Information Center

Davis, Lansing J.

1993-01-01

Distinguishes between education and employer-sponsored training in terms of process, purpose, and providers. Concludes that work-related training and postsecondary education are cognates within the classification education, and equating their learning outcomes is appropriate. (SK)

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

PubMed Central

Brito, Paula M.; Antunes, Fernando

2014-01-01

The lack of kinetic data concerning the biological effects of reactive oxygen species is slowing down the development of the field of redox signaling. Herein, we deduced and applied equations to estimate kinetic parameters from typical redox signaling experiments. H2O2-sensing mediated by the oxidation of a protein target and the switch-off of this sensor, by being converted back to its reduced form, are the two processes for which kinetic parameters are determined. The experimental data required to apply the equations deduced is the fraction of the H2O2 sensor protein in the reduced or in the oxidized state measured in intact cells or living tissues after exposure to either endogenous or added H2O2. Either non-linear fittings that do not need transformation of the experimental data or linearized plots in which deviations from the equations are easily observed can be used. The equations were shown to be valid by fitting to them virtual time courses simulated with a kinetic model. The good agreement between the kinetic parameters estimated in these fittings and those used to simulate the virtual time courses supported the accuracy of the kinetic equations deduced. Finally, equations were successfully tested with real data taken from published experiments that describe redox signaling mediated by the oxidation of two protein tyrosine phosphatases, PTP1B and SHP-2, which are two of the few H2O2-sensing proteins with known kinetic parameters. Whereas for PTP1B estimated kinetic parameters fitted in general the present knowledge, for SHP-2 results obtained suggest that reactivity toward H2O2 as well as the rate of SHP-2 regeneration back to its reduced form are higher than previously thought. In conclusion, valuable quantitative kinetic data can be estimated from typical redox signaling experiments, thus improving our understanding about the complex processes that underlie the interplay between oxidative stress and redox signaling responses. PMID:25325054

19. Relativistic Guiding Center Equations

SciTech Connect

White, R. B.; Gobbin, M.

2014-10-01

In toroidal fusion devices it is relatively easy that electrons achieve relativistic velocities, so to simulate runaway electrons and other high energy phenomena a nonrelativistic guiding center formalism is not sufficient. Relativistic guiding center equations including flute mode time dependent field perturbations are derived. The same variables as used in a previous nonrelativistic guiding center code are adopted, so that a straightforward modifications of those equations can produce a relativistic version.

20. SIMULTANEOUS DIFFERENTIAL EQUATION COMPUTER

DOEpatents

Collier, D.M.; Meeks, L.A.; Palmer, J.P.

1960-05-10

A description is given for an electronic simulator for a system of simultaneous differential equations, including nonlinear equations. As a specific example, a homogeneous nuclear reactor system including a reactor fluid, heat exchanger, and a steam boiler may be simulated, with the nonlinearity resulting from a consideration of temperature effects taken into account. The simulator includes three operational amplifiers, a multiplier, appropriate potential sources, and interconnecting R-C networks.

1. Numerical solutions of the complete Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Hassan, H. A.

1986-01-01

Using ideas from the kinetic theory, the Navier-Stokes equations are modified in such a way that they can be cast as a set of first order hyperbolic equations. This is achieved by incorporating time dependent terms into the definition of the stress tensor and the heat flux vectors. The boundary conditions are then determined from the theory of characteristics. Because the resulting equations reduce to the traditional Navier-Stokes equations when the steady state is reached, the present approach provides a straightforward scheme for the determination of inflow and outflow boundary conditions. The method is validated by comparing its predictions with known exact solutions of the steady Navier-Stokes equations.

2. Obtaining and estimating kinetic parameters from the literature.

PubMed

Neves, Susana R

2011-09-20

This Teaching Resource provides lecture notes, slides, and a student assignment for a lecture on strategies for the development of mathematical models. Many biological processes can be represented mathematically as systems of ordinary differential equations (ODEs). Simulations with these mathematical models can provide mechanistic insight into the underlying biology of the system. A prerequisite for running simulations, however, is the identification of kinetic parameters that correspond closely with the biological reality. This lecture presents an overview of the steps required for the development of kinetic ODE models and describes experimental methods that can yield kinetic parameters and concentrations of reactants, which are essential for the development of kinetic models. Strategies are provided to extract necessary parameters from published data. The homework assignment requires students to find parameters appropriate for a well-studied biological regulatory system, convert these parameters into appropriate units, and interpret how different values of these parameters may lead to different biological behaviors. PMID:21934111

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

PubMed

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

2014-06-01

Multiscale methods built purely on the kinetic theory of gases provide information about the molecular velocity distribution function. It is therefore both important and feasible to establish new breakdown parameters for assessing the appropriateness of a fluid description at the continuum level by utilizing kinetic information rather than macroscopic flow quantities alone. We propose a new kinetic criterion to indirectly assess the errors introduced by a continuum-level description of the gas flow. The analysis, which includes numerical demonstrations, focuses on the validity of the Navier-Stokes-Fourier equations and corresponding kinetic models and reveals that the new criterion can consistently indicate the validity of continuum-level modeling in both low-speed and high-speed flows at different Knudsen numbers. PMID:25019910

4. Obtaining and Estimating Kinetic Parameters from the Literature

PubMed Central

Neves, Susana R.

2014-01-01

This Teaching Resource provides lecture notes, slides, and a student assignment for a lecture on strategies for the development of mathematical models. Many biological processes can be represented mathematically as systems of ordinary differential equations (ODEs). Simulations with these mathematical models can provide mechanistic insight into the underlying biology of the system. A prerequisite for running simulations, however, is the identification of kinetic parameters that correspond closely with the biological reality. This lecture presents an overview of the steps required for the development of kinetic ODE models and describes experimental methods that can yield kinetic parameters and concentrations of reactants, which are essential for the development of kinetic models. Strategies are provided to extract necessary parameters from published data. The homework assignment requires students to find parameters appropriate for a well-studied biological regulatory system, convert these parameters into appropriate units, and interpret how different values of these parameters may lead to different biological behaviors. PMID:21934111

5. Set Equation Transformation System.

Energy Science and Technology Software Center (ESTSC)

2002-03-22

Version 00 SETS is used for symbolic manipulation of Boolean equations, particularly the reduction of equations by the application of Boolean identities. It is a flexible and efficient tool for performing probabilistic risk analysis (PRA), vital area analysis, and common cause analysis. The equation manipulation capabilities of SETS can also be used to analyze noncoherent fault trees and determine prime implicants of Boolean functions, to verify circuit design implementation, to determine minimum cost fire protectionmore » requirements for nuclear reactor plants, to obtain solutions to combinatorial optimization problems with Boolean constraints, and to determine the susceptibility of a facility to unauthorized access through nullification of sensors in its protection system. Two auxiliary programs, SEP and FTD, are included. SEP performs the quantitative analysis of reduced Boolean equations (minimal cut sets) produced by SETS. The user can manipulate and evaluate the equations to find the probability of occurrence of any desired event and to produce an importance ranking of the terms and events in an equation. FTD is a fault tree drawing program which uses the proprietary ISSCO DISSPLA graphics software to produce an annotated drawing of a fault tree processed by SETS. The DISSPLA routines are not included.« less

6. Kinetics and thermodynamics of first-order Markov chain copolymerization

NASA Astrophysics Data System (ADS)

Gaspard, P.; Andrieux, D.

2014-07-01

We report a theoretical study of stochastic processes modeling the growth of first-order Markov copolymers, as well as the reversed reaction of depolymerization. These processes are ruled by kinetic equations describing both the attachment and detachment of monomers. Exact solutions are obtained for these kinetic equations in the steady regimes of multicomponent copolymerization and depolymerization. Thermodynamic equilibrium is identified as the state at which the growth velocity is vanishing on average and where detailed balance is satisfied. Away from equilibrium, the analytical expression of the thermodynamic entropy production is deduced in terms of the Shannon disorder per monomer in the copolymer sequence. The Mayo-Lewis equation is recovered in the fully irreversible growth regime. The theory also applies to Bernoullian chains in the case where the attachment and detachment rates only depend on the reacting monomer.

7. Kinetics and thermodynamics of first-order Markov chain copolymerization.

PubMed

Gaspard, P; Andrieux, D

2014-07-28

We report a theoretical study of stochastic processes modeling the growth of first-order Markov copolymers, as well as the reversed reaction of depolymerization. These processes are ruled by kinetic equations describing both the attachment and detachment of monomers. Exact solutions are obtained for these kinetic equations in the steady regimes of multicomponent copolymerization and depolymerization. Thermodynamic equilibrium is identified as the state at which the growth velocity is vanishing on average and where detailed balance is satisfied. Away from equilibrium, the analytical expression of the thermodynamic entropy production is deduced in terms of the Shannon disorder per monomer in the copolymer sequence. The Mayo-Lewis equation is recovered in the fully irreversible growth regime. The theory also applies to Bernoullian chains in the case where the attachment and detachment rates only depend on the reacting monomer. PMID:25084957

8. Kinetic theory based new upwind methods for inviscid compressible flows

NASA Technical Reports Server (NTRS)

Deshpande, S. M.

1986-01-01

Two new upwind methods called the Kinetic Numerical Method (KNM) and the Kinetic Flux Vector Splitting (KFVS) method for the solution of the Euler equations have been presented. Both of these methods can be regarded as some suitable moments of an upwind scheme for the solution of the Boltzmann equation provided the distribution function is Maxwellian. This moment-method strategy leads to a unification of the Riemann approach and the pseudo-particle approach used earlier in the development of upwind methods for the Euler equations. A very important aspect of the moment-method strategy is that the new upwind methods satisfy the entropy condition because of the Boltzmann H-Theorem and suggest a possible way of extending the Total Variation Diminishing (TVD) principle within the framework of the H-Theorem. The ability of these methods in obtaining accurate wiggle-free solution is demonstrated by applying them to two test problems.

9. Kinetics and thermodynamics of first-order Markov chain copolymerization

SciTech Connect

Gaspard, P.; Andrieux, D.

2014-07-28

We report a theoretical study of stochastic processes modeling the growth of first-order Markov copolymers, as well as the reversed reaction of depolymerization. These processes are ruled by kinetic equations describing both the attachment and detachment of monomers. Exact solutions are obtained for these kinetic equations in the steady regimes of multicomponent copolymerization and depolymerization. Thermodynamic equilibrium is identified as the state at which the growth velocity is vanishing on average and where detailed balance is satisfied. Away from equilibrium, the analytical expression of the thermodynamic entropy production is deduced in terms of the Shannon disorder per monomer in the copolymer sequence. The Mayo-Lewis equation is recovered in the fully irreversible growth regime. The theory also applies to Bernoullian chains in the case where the attachment and detachment rates only depend on the reacting monomer.

10. Full Boltzmann equations for leptogenesis including scattering

SciTech Connect

Hahn-Woernle, F.; Plümacher, M.; Wong, Y.Y.Y. E-mail: pluemi@mppmu.mpg.de

2009-08-01

We study the evolution of a cosmological baryon asymmetry produced via leptogenesis by means of the full classical Boltzmann equations, without the assumption of kinetic equilibrium and including all quantum statistical factors. Beginning with the full mode equations, we derive the usual equations of motion for the right-handed neutrino number density and integrated lepton asymmetry, and show explicitly the impact of each assumption on these quantities. For the first time, we investigate also the effects of scattering of the right-handed neutrino with the top quark to leading order in the Yukawa couplings by means of the full Boltzmann equations. We find that in our full Boltzmann treatment the final lepton asymmetry can be suppressed by as much as a factor of ∼ 1.5 in the weak wash-out regime (K ∼< 1), compared to the usual integrated approach which assumes kinetic equilibrium and neglects quantum statistics. This suppression is in contrast with the enhancement seen in some previous studies that considered only decay and inverse decay of the right-handed neutrino. However, this suppression quickly decreases as we increase K. In the strong wash-out regime (K ∼> 1), the full Boltzmann treatment and the integrated approach give nearly identical final lepton asymmetries (within 10% of each other at K > 3). Finally, we show that the opposing effects of quantum statistics on decays/inverse decays and the scattering processes tend to reduce the net importance of scattering on leptogenesis in the full treatment compared to the integrated approach.

11. Reaction kinetic analysis of reactor surveillance data

NASA Astrophysics Data System (ADS)

Yoshiie, T.; Sato, K.; Xu, Q.; Nagai, Y.

2015-06-01

In reactor pressure vessel surveillance data, it was found that the concentration of matrix defects was very low even after nearly 40 years of operation, though a large number of precipitates existed. In this paper, defect structures obtained from surveillance data of A533B (high Cu concentration) were simulated using reaction kinetic analysis with 11 rate equations. The coefficients used in the equations were quite different from those obtained by fitting a Fe-0.6 wt%Cu alloy irradiated by the Kyoto University Reactor. The difference was mainly caused by alloying elements in A533B, and the effect of alloying elements was extracted. The same code was applied to low-Cu A533B irradiated with high irradiation damage rate, and the formation of voids was correctly simulated.

12. A kinetic theory of micromagnetic time evolution

NASA Astrophysics Data System (ADS)

Parker, G. J.; Hitchon, W. N. G.

2013-11-01

A semi-analytic description of recording media grains' magnetization flipping in a magnetic field provides hysteresis loops, efficiently, with all parameters found by following orbits, and in close agreement with existing results. Integrating the Landau-Lifshitz-Gilbert (LLG) equations numerically gives the average energy diffusion coefficient Dɛ, energy loss rate aɛ and the barrier height which must be overcome. These allow solution of the kinetic equation for the probability density f and the escape rate γ of a grain trapped in an energy well, as well as other, similar, very stiff systems. γ is used in Monte Carlo simulation of hysteresis. The essential physics governing the grains' behavior is outlined.

13. Kinetic analysis of complex reactions using FEMLAB

SciTech Connect

Cao, Chunshe; Wang, Yong

2005-06-07

A finite element method software FEMALB has been implemented to the kinetic analysis of complex reaction systems. The established protocol provides fast solutions to the coupled differential-algebraic equations. It shows significant advantages over the conventional coding process with the standard implicit Runge-Kutta (IRK) method. The accuracy and high efficiency have been demonstrated in the simulation of the reaction processes such as glucose/fructose hydrogenation and catalytic cracking of gasoil. As model validation, the numerical results showed satisfactory agreement with the exact solutions. With the powerful capability of solving large matrixes of differential equations (both ODE and PDE) with nonlinear algebraic constrains, such an algorithm has greatly reduced the coding labor in reaction mechanistic studies and provided a unique tool in reactor design and optimization.

14. Drift-Kinetic Simulations of Neoclassical Transport

SciTech Connect

Belli, E. A.; Candy, J.

2008-11-01

We present results from numerical studies of neoclassical transport for multi-species plasmas. The code, NEO, provides a first-principles based calculation of the neoclassical transport coefficients directly from solution of the distribution function by solving a hierarchy of equations derived by expanding the fundamental drift-kinetic equation in powers of {rho}{sub *i}, the ratio of the ion gyroradius to system size. It extends previous studies by including the self-consistent coupling of electrons and multiple ion species and strong toroidal rotation effects. Systematic calculations of the second-order particle and energy fluxes and first-order plasma flows and bootstrap current and comparisons with existing theories are given for multi-species plasmas. The ambipolar relation {sigma}{sub a}z{sub a}{gamma}{sub a} = 0, which can only be maintained with complete cross-species collisional coupling, is confirmed. The effects of plasma shaping are also explored.

15. Kinetic tetrazolium microtiter assay

NASA Technical Reports Server (NTRS)

Pierson, Duane L. (Inventor); Stowe, Raymond P. (Inventor); Koeing, David W. (Inventor)

1992-01-01

A method for conducting an in vitro cell assay using a tetrazolium indicator is disclosed. The indicator includes a nonionic detergent which solubilizes a tetrazolium reduction product in vitro and has low toxicity for the cells. The incubation of test cells in the presence of zolium bromide and octoxynol (TRITON X-100) permits kinetics of the cell metabolism to be determined.

16. Kinetics and Catalysis Demonstrations.

ERIC Educational Resources Information Center

Falconer, John L.; Britten, Jerald A.

1984-01-01

Eleven videotaped kinetics and catalysis demonstrations are described. Demonstrations include the clock reaction, oscillating reaction, hydrogen oxidation in air, hydrogen-oxygen explosion, acid-base properties of solids, high- and low-temperature zeolite reactivity, copper catalysis of ammonia oxidation and sodium peroxide decomposition, ammonia…

17. Kinetic theory of oxygen isotopic exchange between minerals and water

USGS Publications Warehouse

Criss, R.E.; Gregory, R.T.; Taylor, H.P., Jr.

1987-01-01

Kinetic and mass conservation equations are used to describe oxygen isotopic exchange between minerals and water in "closed" and open hydrothermal systems. In cases where n coexisting mineral phases having different reaction rates are present, the exchange process is described by a system of n + 1 simultaneous differential equations consisting of n pseudo first-order rate equations and a conservation of mass equation. The simultaneous solutions to these equations generate curved exchange trajectories on ??-?? plots. Families of such trajectories generated under conditions allowing for different fluid mole fractions, different fluid isotopic compositions, or different fluid flow rates are connected by positive-sloped isochronous lines. These isochrons reproduce the effects observed in hydrothermally exchanged mineral pairs including 1) steep positive slopes, 2) common reversals in the measured fractionation factors (??), and 3) measured fractionations that are highly variable over short distances where no thermal gradient can be geologically demonstrated. ?? 1987.

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

NASA Astrophysics Data System (ADS)

Hozé, Nathanaël; Holcman, David

2014-01-01

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.

19. Multidimensional reactor kinetics modeling

SciTech Connect

Diamond, D.J.

1996-11-01

There is general agreement that for many light water reactor transient calculations, it is-necessary to use a multidimensional neutron kinetics model coupled to a thermal-hydraulics model for satisfactory results. These calculations are needed for a variety of applications for licensing safety analysis, probabilistic risk assessment (PRA), operational support, and training. The latter three applications have always required best-estimate models, but in the past applications for licensing could be satisfied with relatively simple models. By using more sophisticated best-estimate models, the consequences of these calculations are better understood, and the potential for gaining relief from restrictive operating limits increases. Hence, for all of the aforementioned applications, it is important to have the ability to do best-estimate calculations with multidimensional neutron kinetics models. coupled to sophisticated thermal-hydraulic models. Specifically, this paper reviews the status of multidimensional neutron kinetics modeling which would be used in conjunction with thermal-hydraulic models to do core dynamics calculations, either coupled to a complete NSSS representation or in isolation. In addition, the paper makes recommendations as to what should be the state-of-the-art for the next ten years. The review is an update to a previous review of the status as of ten years ago. The general requirements for a core dynamics code and the modeling available for such a code, discussed in that review, are still applicable. The emphasis in the current review is on the neutron kinetics assuming that the necessary thermal-hydraulic capability exists. In addition to discussing the basic neutron kinetics, discussion is given of related modeling (other than thermal- hydraulics). The capabilities and limitations of current computer codes are presented to understand the state-of-the-art and to help clarify the future direction of model development in this area.

20. Kinetics of DNA tile dimerization.

PubMed

Jiang, Shuoxing; Yan, Hao; Liu, Yan

2014-06-24

Investigating how individual molecular components interact with one another within DNA nanoarchitectures, both in terms of their spatial and temporal interactions, is fundamentally important for a better understanding of their physical behaviors. This will provide researchers with valuable insight for designing more complex higher-order structures that can be assembled more efficiently. In this report, we examined several spatial factors that affect the kinetics of bivalent, double-helical (DH) tile dimerization, including the orientation and number of sticky ends (SEs), the flexibility of the double helical domains, and the size of the tiles. The rate constants we obtained confirm our hypothesis that increased nucleation opportunities and well-aligned SEs accelerate tile-tile dimerization. Increased flexibility in the tiles causes slower dimerization rates, an effect that can be reversed by introducing restrictions to the tile flexibility. The higher dimerization rates of more rigid tiles results from the opposing effects of higher activation energies and higher pre-exponential factors from the Arrhenius equation, where the pre-exponential factor dominates. We believe that the results presented here will assist in improved implementation of DNA tile based algorithmic self-assembly, DNA based molecular robotics, and other specific nucleic acid systems, and will provide guidance to design and assembly processes to improve overall yield and efficiency. PMID:24794259

1. Dynamical equation of the effective gluon mass

SciTech Connect

Aguilar, A. C.; Binosi, D.; Papavassiliou, J.

2011-10-15

In this article, we derive the integral equation that controls the momentum dependence of the effective gluon mass in the Landau gauge. This is accomplished by means of a well-defined separation of the corresponding ''one-loop dressed'' Schwinger-Dyson equation into two distinct contributions, one associated with the mass and one with the standard kinetic part of the gluon. The entire construction relies on the existence of a longitudinally coupled vertex of nonperturbative origin, which enforces gauge invariance in the presence of a dynamical mass. The specific structure of the resulting mass equation, supplemented by the additional requirement of a positive-definite gluon mass, imposes a rather stringent constraint on the derivative of the gluonic dressing function, which is comfortably satisfied by the large-volume lattice data for the gluon propagator, both for SU(2) and SU(3). The numerical treatment of the mass equation, under some simplifying assumptions, is presented for the aforementioned gauge groups, giving rise to a gluon mass that is a nonmonotonic function of the momentum. Various theoretical improvements and possible future directions are briefly discussed.

2. Ill-Posedness of the Hydrostatic Euler and Singular Vlasov Equations

NASA Astrophysics Data System (ADS)

Han-Kwan, Daniel; Nguyen, Toan T.

2016-09-01

In this paper, we develop an abstract framework to establish ill-posedness, in the sense of Hadamard, for some nonlocal PDEs displaying unbounded unstable spectra. We apply this to prove the ill-posedness for the hydrostatic Euler equations as well as for the kinetic incompressible Euler equations and the Vlasov-Dirac-Benney system.

3. Kinetics of Vascular Remodeling: Comparison of Solver Approaches

NASA Astrophysics Data System (ADS)

Ward, R. C.; Nutaro, J. J.; Kruse, K. L.; O'Quinn, E. C.; Reedy-Jackson, A. R.; Woerner, M. M.

2006-11-01

Results will be presented for kinetics of matrix metalloproteinases (MMP), enzymes that play a significant role in vascular remodeling. Three different computational approaches for well-mixed kinetics processes will be analyzed and compared. The kinetics of one MMP, namely MMP2, were elucidated using a model and rate constants from published literature^1 and implemented using the JSim environment (see nsr.bioeng.washington.edu).^ Further investigations of this pathway were undertaken using System Biology Workbench (SBW) (see sbw.kgi.edu), where the system of kinetic equations was created using an interactive visual interface. Using SBW the complexity of the kinetics was evaluated using phase space analysis. Finally, we implemented the kinetics model using Discrete Event System Specification (DEVS). Using adev (see www.ece.arizona.edu/˜nutaro), an open-source DEVS modeling environment we demonstrate that continuous, well-mixed, enzyme kinetics can be modeled using discrete event simulation. The three computational environments will be compared and their utility and comprehensiveness evaluated. 1. Karagiannis, E. D. and Popel, A. S., J. of Biological Chemistry, 279 (37):39105--39114, 2004.

4. Learning Chemical Kinetics with Spreadsheets.

ERIC Educational Resources Information Center

Blickensderfer, Roger

1990-01-01

Presented are several simple kinetic systems together with the spreadsheets used to solve them. A set of exercises in chemical kinetics appropriate for an introductory course in physical chemistry is given. Error propagation calculations with experimental data are illustrated. (CW)

5. Derivation of the equations of motion for complex structures by symbolic manipulation

NASA Technical Reports Server (NTRS)

Hale, A. L.; Meirovitch, L.

1978-01-01

This paper outlines a computer program especially tailored to the task of deriving explicit equations of motion for structures with point-connected substructures. The special purpose program is written in FORTRAN and is designed for performing the specific algebraic operations encountered in the derivation of explicit equations of motion. The derivation is by the Lagrangian approach. Using an orderly kinematical procedure and a discretization and/or truncation scheme, it is possible to write the kinetic and potential energy of each substructure in a compact vector-matrix form. Then, if each element of the matrices and vectors encountered in the kinetic and potential energy is a known algebraic expression, the computer program performs the necessary operations to evaluate the kinetic and potential energy of the system explicitly. Lagrange's equations for small motions about equilibrium can be deduced directly from the explicit form of the system kinetic and potential energy.

6. Kinetics of wealth and the Pareto law

NASA Astrophysics Data System (ADS)

Boghosian, Bruce M.

2014-04-01

An important class of economic models involve agents whose wealth changes due to transactions with other agents. Several authors have pointed out an analogy with kinetic theory, which describes molecules whose momentum and energy change due to interactions with other molecules. We pursue this analogy and derive a Boltzmann equation for the time evolution of the wealth distribution of a population of agents for the so-called Yard-Sale Model of wealth exchange. We examine the solutions to this equation by a combination of analytical and numerical methods and investigate its long-time limit. We study an important limit of this equation for small transaction sizes and derive a partial integrodifferential equation governing the evolution of the wealth distribution in a closed economy. We then describe how this model can be extended to include features such as inflation, production, and taxation. In particular, we show that the model with taxation exhibits the basic features of the Pareto law, namely, a lower cutoff to the wealth density at small values of wealth, and approximate power-law behavior at large values of wealth.

7. The Bernoulli-Poiseuille Equation.

ERIC Educational Resources Information Center

Badeer, Henry S.; Synolakis, Costas E.

1989-01-01

Describes Bernoulli's equation and Poiseuille's equation for fluid dynamics. Discusses the application of the combined Bernoulli-Poiseuille equation in real flows, such as viscous flows under gravity and acceleration. (YP)

8. Introducing Chemical Formulae and Equations.

ERIC Educational Resources Information Center

Dawson, Chris; Rowell, Jack

1979-01-01

Discusses when the writing of chemical formula and equations can be introduced in the school science curriculum. Also presents ways in which formulae and equations learning can be aided and some examples for balancing and interpreting equations. (HM)

9. LLNL Chemical Kinetics Modeling Group

SciTech Connect

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.

10. Studies on cultivation kinetics for elastase production by Bacillus sp. EL31410.

PubMed

Chen, Qi-He; He, Guo-Qing; Schwarz, Paul

2004-06-01

It was the first time to study elastase batch cultivation kinetics. This paper discusses the growth kinetics, elastase production, and substrate consumption kinetics model of Bacillus sp. EL31410 in batch cultivation. A simple model was proposed using a logistic equation for growth, the Luedeking-Piret equation for elastase production, and the Luedeking-Piret-like equation for glucose consumption. The model appeared to provide a reasonable description for each parameter during the growth phase. This study could provide some support for studying elastase fermentation kinetics, especially for studying its singular growth phenomenon. However, the model for elastase production is not good for explaining the real process and is still up to research. PMID:15161197

11. An Introductory Level Kinetics Investigation.

ERIC Educational Resources Information Center

McGarvey, J. E. B.; Knipe, A. C.

1980-01-01

Provides a list of the reactions commonly used for introductory kinetics studies. These reactions illustrate the kinetics concepts of rate law, rate constant, and reaction order. Describes a kinetic study of the hydrolysis of 3-bromo-3-phenylpropanoic acid which offers many educational advantages. (CS)

12. Nonlocal electrical diffusion equation

NASA Astrophysics Data System (ADS)

Gómez-Aguilar, J. F.; Escobar-Jiménez, R. F.; Olivares-Peregrino, V. H.; Benavides-Cruz, M.; Calderón-Ramón, C.

2016-07-01

In this paper, we present an analysis and modeling of the electrical diffusion equation using the fractional calculus approach. This alternative representation for the current density is expressed in terms of the Caputo derivatives, the order for the space domain is 0<β≤1 and for the time domain is 0<γ≤2. We present solutions for the full fractional equation involving space and time fractional derivatives using numerical methods based on Fourier variable separation. The case with spatial fractional derivatives leads to Levy flight type phenomena, while the time fractional equation is related to sub- or super diffusion. We show that the mathematical concept of fractional derivatives can be useful to understand the behavior of semiconductors, the design of solar panels, electrochemical phenomena and the description of anomalous complex processes.

13. Parallel tridiagonal equation solvers

NASA Technical Reports Server (NTRS)

Stone, H. S.

1974-01-01

Three parallel algorithms were compared for the direct solution of tridiagonal linear systems of equations. The algorithms are suitable for computers such as ILLIAC 4 and CDC STAR. For array computers similar to ILLIAC 4, cyclic odd-even reduction has the least operation count for highly structured sets of equations, and recursive doubling has the least count for relatively unstructured sets of equations. Since the difference in operation counts for these two algorithms is not substantial, their relative running times may be more related to overhead operations, which are not measured in this paper. The third algorithm, based on Buneman's Poisson solver, has more arithmetic operations than the others, and appears to be the least favorable. For pipeline computers similar to CDC STAR, cyclic odd-even reduction appears to be the most preferable algorithm for all cases.

14. Development of off-gas emission kinetics for stored wood pellets.

PubMed

Fan, Chuigang; Bi, Xiaotao T

2013-01-01

A lumped three-reaction kinetic model for off-gas emissions of stored wood pellets in sealed containers has been developed accounting for the formation of CO and CO(2) and the depletion of O(2). Off-gas emission data at different conditions were used to extract kinetic model parameters by numerically fitting the proposed model equations. The fitted kinetic model parameters for different cases showed consistency with one another. With properly estimated model parameters, the current kinetic model can be used to predict off-gas emissions, oxygen depletion, and the buildup of toxic air pollutants in wood pellet storage containers/vessels. PMID:22826538

15. Ozone kinetics in low-pressure discharges

NASA Astrophysics Data System (ADS)

Guerra, Vasco; Marinov, Daniil; Guaitella, Olivier; Rousseau, Antoine

2012-10-01

Ozone kinetics is quite well established at atmospheric pressure, due to the importance of ozone in atmospheric chemistry and to the development of industrial ozone reactors. However, as the pressure is decreased and the dominant three-body reactions lose importance, the main mechanisms involved in the creation and destruction of ozone are still surrounded by important uncertainties. In this work we develop a self-consistent model for a pulsed discharge and its afterglow operating in a Pyrex reactor with inner radius 1 cm, at pressures in the range 1-5 Torr and discharge currents of 40-120 mA. The model couples the electron Boltzmann equation with a system of equations for the time evolution of the heavy particles. The calculations are compared with time-dependent measurements of ozone and atomic oxygen. Parametric studies are performed in order to clarify the role of vibrationally excited ozone in the overall kinetics and to establish the conditions where ozone production on the surface may become important. It is shown that vibrationally excited ozone does play a significant role, by increasing the time constants of ozone formation. Moreover, an upper limit for the ozone formation at the wall in these conditions is set at 10(-4).

16. Kinetics of cobalt cementation on zinc powder

SciTech Connect

Polcaro, A.M.; Palmas, S.; Dernini, S.

1995-09-01

The cementation process may be considered an interesting method to treat dilute solutions containing metal ions. The aim of the process may be either the removal of pollutant metals or the recovery of economically valuable metals such as Ag from spent photographic liquors. The kinetics of cobalt cementation on Zn powder from zinc sulfate concentrated solutions in the presence of copper and antimony ions was investigated in stirred tank reactors. The composition of the solutions was in the range usually utilized in industrial zinc electrowinning plants. The results showed that the reaction occurs by means of the formation of crystallization nuclei of noble metals on the zinc powder, followed by the cementation of cobalt ions on these newly-formed nuclei. Mass transfer to the reaction surface is shown to be the controlling step in copper and antimony reduction, and an equation correlating mass transfer coefficients has been determined. A kinetic equation, which interprets the influence of stirring speed and solution composition on cobalt cementation, has also been proposed.

17. Kinetic Tetrazolium Microtiter Assay

NASA Technical Reports Server (NTRS)

Pierson, Duane L.; Stowe, Raymond; Koenig, David

1993-01-01

Kinetic tetrazolium microtiter assay (KTMA) involves use of tetrazolium salts and Triton X-100 (or equivalent), nontoxic, in vitro color developer solubilizing colored metabolite formazan without injuring or killing metabolizing cells. Provides for continuous measurement of metabolism and makes possible to determine rate of action of antimicrobial agent in real time as well as determines effective inhibitory concentrations. Used to monitor growth after addition of stimulatory compounds. Provides for kinetic determination of efficacy of biocide, greatly increasing reliability and precision of results. Also used to determine relative effectiveness of antimicrobial agent as function of time. Capability of generating results on day of test extremely important in treatment of water and waste, disinfection of hospital rooms, and in pharmaceutical, agricultural, and food-processing industries. Assay also used in many aspects of cell biology.

18. Kepler Equation solver

NASA Technical Reports Server (NTRS)

Markley, F. Landis

1995-01-01

Kepler's Equation is solved over the entire range of elliptic motion by a fifth-order refinement of the solution of a cubic equation. This method is not iterative, and requires only four transcendental function evaluations: a square root, a cube root, and two trigonometric functions. The maximum relative error of the algorithm is less than one part in 10(exp 18), exceeding the capability of double-precision computer arithmetic. Roundoff errors in double-precision implementation of the algorithm are addressed, and procedures to avoid them are developed.

19. Difference equation for superradiance

NASA Technical Reports Server (NTRS)

Lee, C. T.

1974-01-01

The evolution of a completely excited system of N two-level atoms, distributed over a large region and interacting with all modes of radiation field, is studied. The distinction between r-conserving (RC) and r-nonconserving (RNC) processes is emphasized. Considering the number of photons emitted as the discrete independent variable, the evolution is described by a partial difference equation. Numerical solution of this equation shows the transition from RNC dominance at the beginning to RC dominance later. This is also a transition from incoherent to coherent emission of radiation.

20. Obtaining Maxwell's equations heuristically

NASA Astrophysics Data System (ADS)

Diener, Gerhard; Weissbarth, Jürgen; Grossmann, Frank; Schmidt, Rüdiger

2013-02-01

Starting from the experimental fact that a moving charge experiences the Lorentz force and applying the fundamental principles of simplicity (first order derivatives only) and linearity (superposition principle), we show that the structure of the microscopic Maxwell equations for the electromagnetic fields can be deduced heuristically by using the transformation properties of the fields under space inversion and time reversal. Using the experimental facts of charge conservation and that electromagnetic waves propagate with the speed of light, together with Galilean invariance of the Lorentz force, allows us to finalize Maxwell's equations and to introduce arbitrary electrodynamics units naturally.

1. The halo Boltzmann equation

NASA Astrophysics Data System (ADS)

Biagetti, Matteo; Desjacques, Vincent; Kehagias, Alex; Racco, Davide; Riotto, Antonio

2016-04-01

Dark matter halos are the building blocks of the universe as they host galaxies and clusters. The knowledge of the clustering properties of halos is therefore essential for the understanding of the galaxy statistical properties. We derive an effective halo Boltzmann equation which can be used to describe the halo clustering statistics. In particular, we show how the halo Boltzmann equation encodes a statistically biased gravitational force which generates a bias in the peculiar velocities of virialized halos with respect to the underlying dark matter, as recently observed in N-body simulations.

2. A kinetic model for chemical neurotransmission

NASA Astrophysics Data System (ADS)

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.

3. Imperfect dark energy from kinetic gravity braiding

SciTech Connect

Deffayet, Cédric; Pujolàs, Oriol; Sawicki, Ignacy; Vikman, Alexander E-mail: oriol.pujolas@cern.ch E-mail: alexander.vikman@nyu.edu

2010-10-01

We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energy. As an example, we study in detail a simple one-parameter model. The possible observational signatures of this model include a sizeable Early Dark Energy and a specific equation of state evolving into the final de-Sitter state from a healthy phantom regime.

4. Exact Vlasov Solutions of Kinetic Flux Ropes

NASA Astrophysics Data System (ADS)

Ng, C. S.

2014-12-01

Small-scale magnetic flux ropes have been observed to form within the diffusion region in three-dimensional (3D) kinetic simulations of magnetic reconnection. Such 3D structures and the 2D version of them (plasmoids, secondary islands) could have important dynamical effects on the reconnection physics itself. Small-scale flux ropes have also been observed within the interplanetary space. We have found exact time-steady solutions of kinetic flux ropes by generalizing exact solutions of 2D Bernstein-Greene-Kruskal (BGK) modes in a magnetized plasma with finite magnetic field strength [Ng, Bhattacharjee, and Skiff, Phys. Plasmas 13, 055903 (2006)] to cases with azimuthal magnetic fields so that these structures carry electric current as well as steady electric and magnetic fields. Such fully nonlinear solutions now satisfy exactly the Vlasov-Poisson-Ampere system of equations. Solutions like these could describe small-scale flux ropes observed in reconnection diffusion regions or in the interplanetary space. They are also exact nonlinear solutions that can be used to validate numerical schemes for kinetic simulations. This work is supported by a National Science Foundation grant PHY-1004357.

5. Rapid mixing kinetic techniques.

PubMed

Martin, Stephen R; Schilstra, Maria J

2013-01-01

Almost all of the elementary steps in a biochemical reaction scheme are either unimolecular or bimolecular processes that frequently occur on sub-second, often sub-millisecond, time scales. The traditional approach in kinetic studies is to mix two or more reagents and monitor the changes in concentrations with time. Conventional spectrophotometers cannot generally be used to study reactions that are complete within less than about 20 s, as it takes that amount of time to manually mix the reagents and activate the instrument. Rapid mixing techniques, which generally achieve mixing in less than 2 ms, overcome this limitation. This chapter is concerned with the use of these techniques in the study of reactions which reach equilibrium; the application of these methods to the study of enzyme kinetics is described in several excellent texts (Cornish-Bowden, Fundamentals of enzyme kinetics. Portland Press, 1995; Gutfreund, Kinetics for the life sciences. Receptors, transmitters and catalysis. Cambridge University Press, 1995).There are various ways to monitor changes in concentration of reactants, intermediates and products after mixing, but the most common way is to use changes in optical signals (absorbance or fluorescence) which often accompany reactions. Although absorbance can sometimes be used, fluorescence is often preferred because of its greater sensitivity, particularly in monitoring conformational changes. Such methods are continuous with good time resolution but they seldom permit the direct determination of the concentrations of individual species. Alternatively, samples may be taken from the reaction volume, mixed with a chemical quenching agent to stop the reaction, and their contents assessed by techniques such as HPLC. These methods can directly determine the concentrations of different species, but are discontinuous and have a limited time resolution. PMID:23729251

6. A conservative multi-group approach to the Boltzmann equations for reactive gas mixtures

NASA Astrophysics Data System (ADS)

Bisi, M.; Rossani, A.; Spiga, G.

2015-11-01

Starting from a simple kinetic model for a quaternary mixture of gases undergoing a bimolecular chemical reaction, multi-group integro-differential equations are derived for the particle distribution functions of all species. The procedure takes advantage of a suitable probabilistic formulation, based on the underlying collision frequencies and transition probabilities, of the relevant reactive kinetic equations of Boltzmann type. Owing to an appropriate choice of a sufficiently large number of weight functions, it is shown that the proposed multi-group equations are able to fulfil exactly, at any order of approximation, the correct conservation laws that must be inherited from the original kinetic equations, where speed was a continuous variable. Future developments are also discussed.

7. The Statistical Drake Equation

NASA Astrophysics Data System (ADS)

Maccone, Claudio

2010-12-01

We provide the statistical generalization of the Drake equation. From a simple product of seven positive numbers, the Drake equation is now turned into the product of seven positive random variables. We call this "the Statistical Drake Equation". The mathematical consequences of this transformation are then derived. The proof of our results is based on the Central Limit Theorem (CLT) of Statistics. In loose terms, the CLT states that the sum of any number of independent random variables, each of which may be ARBITRARILY distributed, approaches a Gaussian (i.e. normal) random variable. This is called the Lyapunov Form of the CLT, or the Lindeberg Form of the CLT, depending on the mathematical constraints assumed on the third moments of the various probability distributions. In conclusion, we show that: The new random variable N, yielding the number of communicating civilizations in the Galaxy, follows the LOGNORMAL distribution. Then, as a consequence, the mean value of this lognormal distribution is the ordinary N in the Drake equation. The standard deviation, mode, and all the moments of this lognormal N are also found. The seven factors in the ordinary Drake equation now become seven positive random variables. The probability distribution of each random variable may be ARBITRARY. The CLT in the so-called Lyapunov or Lindeberg forms (that both do not assume the factors to be identically distributed) allows for that. In other words, the CLT "translates" into our statistical Drake equation by allowing an arbitrary probability distribution for each factor. This is both physically realistic and practically very useful, of course. An application of our statistical Drake equation then follows. The (average) DISTANCE between any two neighboring and communicating civilizations in the Galaxy may be shown to be inversely proportional to the cubic root of N. Then, in our approach, this distance becomes a new random variable. We derive the relevant probability density

8. Comparison of Kernel Equating and Item Response Theory Equating Methods

ERIC Educational Resources Information Center

Meng, Yu

2012-01-01

The kernel method of test equating is a unified approach to test equating with some advantages over traditional equating methods. Therefore, it is important to evaluate in a comprehensive way the usefulness and appropriateness of the Kernel equating (KE) method, as well as its advantages and disadvantages compared with several popular item…

9. Chemical, physical, and theoretical kinetics of an ultrafast folding protein

PubMed Central

Kubelka, Jan; Henry, Eric R.; Cellmer, Troy; Hofrichter, James; Eaton, William A.

2008-01-01

An extensive set of equilibrium and kinetic data is presented and analyzed for an ultrafast folding protein—the villin subdomain. The equilibrium data consist of the excess heat capacity, tryptophan fluorescence quantum yield, and natural circular-dichroism spectrum as a function of temperature, and the kinetic data consist of time courses of the quantum yield from nanosecond-laser temperature-jump experiments. The data are well fit with three kinds of models—a three-state chemical-kinetics model, a physical-kinetics model, and an Ising-like theoretical model that considers 105 possible conformations (microstates). In both the physical-kinetics and theoretical models, folding is described as diffusion on a one-dimensional free-energy surface. In the physical-kinetics model the reaction coordinate is unspecified, whereas in the theoretical model, order parameters, either the fraction of native contacts or the number of native residues, are used as reaction coordinates. The validity of these two reaction coordinates is demonstrated from calculation of the splitting probability from the rate matrix of the master equation for all 105 microstates. The analysis of the data on site-directed mutants using the chemical-kinetics model provides information on the structure of the transition-state ensemble; the physical-kinetics model allows an estimate of the height of the free-energy barrier separating the folded and unfolded states; and the theoretical model provides a detailed picture of the free-energy surface and a residue-by-residue description of the evolution of the folded structure, yet contains many fewer adjustable parameters than either the chemical- or physical-kinetics models. PMID:19033473

10. Sorption kinetics of arsenic on laterite soil in aqueous medium.

PubMed

Maji, Sanjoy K; Pal, Anjali; Pal, Tarasankar; Adak, Asok

2007-06-01

The efficiency of a locally available laterite soil in removing both arsenite and arsenate from aqueous medium by adsorption was evaluated. It was observed that in batch experiment conducted at 0.5 mg/L initial concentration of arsenic, laterite soil could remove up to 98% of arsenite and 95% of arsenate under optimized conditions. The kinetic profiles under various conditions were developed. Both arsenite and arsenate removal followed pseudo--second order reaction kinetic model. Pore and film diffusion coefficients were determined from the half-time equation and film diffusion appeared to be the rate-limiting. This was further supported by multiple interruption tests. PMID:17558779

11. A Note on Kinetic Energy, Dissipation and Enstrophy

NASA Technical Reports Server (NTRS)

Wu, Jie-Zhi; Zhou, Ye; Fan, Meng

1998-01-01

The dissipation rate of a Newtonian fluid with constant shear viscosity can be shown to include three constituents: dilatation, vorticity, and surface strain. The last one is found to make no contributions to the change of kinetic energy. These dissipation constituents arc used to identify typical compact turbulent flow structures at high Reynolds numbers. The incompressible version of the simplified kinetic-energy equation is then cast to a novel form, which is free from the work rate done by surface stresses but in which the full dissipation re-enters.

12. Renormalization group improved Higgs inflation with a running kinetic term

NASA Astrophysics Data System (ADS)

Takahashi, Fuminobu; Takahashi, Ryo

2016-09-01

We study a Higgs inflation model with a running kinetic term, taking account of the renormalization group evolution of relevant coupling constants. Specifically we study two types of the running kinetic Higgs inflation, where the inflaton potential is given by the quadratic or linear term potential in a frame where the Higgs field is canonically normalized. We solve the renormalization group equations at two-loop level and calculate the scalar spectral index and the tensor-to-scalar ratio. We find that, even if the renormalization group effects are included, the quadratic inflation is ruled out by the CMB observations, while the linear one is still allowed.

13. Balancing Chemical Equations.

ERIC Educational Resources Information Center

Savoy, L. G.

1988-01-01

Describes a study of students' ability to balance equations. Answers to a test on this topic were analyzed to determine the level of understanding and processes used by the students. Presented is a method to teach this skill to high school chemistry students. (CW)

14. Structural Equation Model Trees

ERIC Educational Resources Information Center

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…

15. Parallel Multigrid Equation Solver

Energy Science and Technology Software Center (ESTSC)

2001-09-07

Prometheus is a fully parallel multigrid equation solver for matrices that arise in unstructured grid finite element applications. It includes a geometric and an algebraic multigrid method and has solved problems of up to 76 mullion degrees of feedom, problems in linear elasticity on the ASCI blue pacific and ASCI red machines.

16. A Quadratic Spring Equation

ERIC Educational Resources Information Center

Fay, Temple H.

2010-01-01

Through numerical investigations, we study examples of the forced quadratic spring equation [image omitted]. By performing trial-and-error numerical experiments, we demonstrate the existence of stability boundaries in the phase plane indicating initial conditions yielding bounded solutions, investigate the resonance boundary in the [omega]…

17. Generalized reduced magnetohydrodynamic equations

SciTech Connect

Kruger, S.E.

1999-02-01

A new derivation of reduced magnetohydrodynamic (MHD) equations is presented. A multiple-time-scale expansion is employed. It has the advantage of clearly separating the three time scales of the problem associated with (1) MHD equilibrium, (2) fluctuations whose wave vector is aligned perpendicular to the magnetic field, and (3) those aligned parallel to the magnetic field. The derivation is carried out without relying on a large aspect ratio assumption; therefore this model can be applied to any general configuration. By accounting for the MHD equilibrium and constraints to eliminate the fast perpendicular waves, equations are derived to evolve scalar potential quantities on a time scale associated with the parallel wave vector (shear-Alfven wave time scale), which is the time scale of interest for MHD instability studies. Careful attention is given in the derivation to satisfy energy conservation and to have manifestly divergence-free magnetic fields to all orders in the expansion parameter. Additionally, neoclassical closures and equilibrium shear flow effects are easily accounted for in this model. Equations for the inner resistive layer are derived which reproduce the linear ideal and resistive stability criterion of Glasser, Greene, and Johnson. The equations have been programmed into a spectral initial value code and run with shear flow that is consistent with the equilibrium input into the code. Linear results of tearing modes with shear flow are presented which differentiate the effects of shear flow gradients in the layer with the effects of the shear flow decoupling multiple harmonics.

18. Modelling by Differential Equations

ERIC Educational Resources Information Center

Chaachoua, Hamid; Saglam, Ayse

2006-01-01

This paper aims to show the close relation between physics and mathematics taking into account especially the theory of differential equations. By analysing the problems posed by scientists in the seventeenth century, we note that physics is very important for the emergence of this theory. Taking into account this analysis, we show the…

19. Do Differential Equations Swing?

ERIC Educational Resources Information Center

Maruszewski, Richard F., Jr.

2006-01-01

One of the units of in a standard differential equations course is a discussion of the oscillatory motion of a spring and the associated material on forcing functions and resonance. During the presentation on practical resonance, the instructor may tell students that it is similar to when they take their siblings to the playground and help them on…

20. Quantum hydrodynamic model by moment closure of Wigner equation

NASA Astrophysics Data System (ADS)

Cai, Zhenning; Fan, Yuwei; Li, Ruo; Lu, Tiao; Wang, Yanli

2012-10-01

In this paper, we derive the quantum hydrodynamics models based on the moment closure of the Wigner equation. The moment expansion adopted is of the Grad type first proposed by Grad ["On the kinetic theory of rarefied gases," Commun. Pure Appl. Math. 2(4), 331-407 (1949), 10.1002/cpa.3160020403]. The Grad's moment method was originally developed for the Boltzmann equation. Recently, a regularization method for the Grad's moment system of the Boltzmann equation was proposed by Cai et al. [Commun. Pure Appl. Math. "Globally hyperbolic regularization of Grad's moment system" (in press)] to achieve the global hyperbolicity so that the local well-posedness of the moment system is attained. With the moment expansion of the Wigner function, the drift term in the Wigner equation has exactly the same moment representation as in the Boltzmann equation, thus the regularization applies. The moment expansion of the nonlocal Wigner potential term in the Wigner equation turns out to be a linear source term, which can only induce very mild growth of the solution. As a result, the local well-posedness of the regularized moment system for the Wigner equation remains as for the Boltzmann equation.

1. Problems with the linear q-Fokker Planck equation

NASA Astrophysics Data System (ADS)

Yano, Ryosuke

2015-05-01

In this letter, we discuss the linear q-Fokker Planck equation, whose solution follows Tsallis distribution, from the viewpoint of kinetic theory. Using normal definitions of moments, we can expand the distribution function with infinite moments for 0 ⩽ q < 1, whereas we cannot expand the distribution function with infinite moments for 1 < q owing to emergences of characteristic points in moments. From Grad's 13 moment equations for the linear q-Fokker Planck equation, the dissipation rate of the heat flux via the linear q-Fokker Planck equation diverges at 0 ⩽ q < 2/3. In other words, the thermal conductivity, which defines the heat flux with the spatial gradient of the temperature and the thermal conductivity, which defines the heat flux with the spacial gradient of the density, jumps to zero at q = 2/3, discontinuously.

2. Evaluation of a kinetic model for computer simulation of growth and fermentation by Scheffersomyces (Pichia) stipitis fed D-xylose

Technology Transfer Automated Retrieval System (TEKTRAN)

Scheffersomyces (formly Pichia) stipitis is a potential biocatalyst for converting lignocelluloses to ethanol because the yeast natively ferments xylose. An unstructured kinetic model based upon a system of linear differential equations has been formulated that describes growth and ethanol productio...

3. Animal Guts as Ideal Reactors: An Open-Ended Project for a Course in Kinetics and Reactor Design.

ERIC Educational Resources Information Center

Carlson, Eric D.; Gast, Alice P.

1998-01-01

Presents an open-ended project tailored for a senior kinetics and reactor design course in which basic reactor design equations are used to model the digestive systems of several animals. Describes the assignment as well as the results. (DDR)

4. Supersymmetric fifth order evolution equations

SciTech Connect

Tian, K.; Liu, Q. P.

2010-03-08

This paper considers supersymmetric fifth order evolution equations. Within the framework of symmetry approach, we give a list containing six equations, which are (potentially) integrable systems. Among these equations, the most interesting ones include a supersymmetric Sawada-Kotera equation and a novel supersymmetric fifth order KdV equation. For the latter, we supply some properties such as a Hamiltonian structures and a possible recursion operator.

5. Kinetic and Fluid Ballooning Stability with Anisotropic Energetic Electron Layers

SciTech Connect

Cooper, W. A.

2006-11-30

A kinetic ballooning mode theory is developed from the gyrokinetic equation in the frequency range for which the ions are fluid, the thermal electron response is adiabatic and the hot electrons are non-interacting due to their large drift velocity. Trapped particle effects are ignored, The application of the quasineutrality condition together with the parallel and binomial components of Ampere's Law reduces the gyrokinetic equation to a second order ordinary differential equation along the equilibrium magnetic field lines. The instability dynamics are dominated by the pressure gradients of the thermal species in the fluid magnetohydrodynamic limit. The resulting equation combines features of both the Kruskal-Oberman energy principle and the rigid hot particle energy principle proposed by Johnson et al. to model the Astron device.

6. Thermodynamic consequences of the kinetic nature of the glass transition

PubMed Central

Koperwas, Kajetan; Grzybowski, Andrzej; Tripathy, Satya N.; Masiewicz, Elzbieta; Paluch, Marian

2015-01-01

In this paper, we consider the glass transition as a kinetic process and establish one universal equation for the pressure coefficient of the glass transition temperature, dTg/dp, which is a thermodynamic characteristic of this process. Our findings challenge the common previous expectations concerning key characteristics of the transformation from the liquid to the glassy state, because it suggests that without employing an additional condition, met in the glass transition, derivation of the two independent equations for dTg/dp is not possible. Hence, the relation among the thermodynamic coefficients, which could be equivalent to the well-known Prigogine-Defay ratio for the process under consideration, cannot be obtained. Besides, by comparing the predictions of our universal equation for dTg/dp and Ehrenfest equations, we find the aforementioned supplementary restriction, which must be met to use the Prigogine-Defay ratio for the glass transition. PMID:26657017

7. Efficient kinetic macrocyclization.

PubMed

Feng, Wen; Yamato, Kazuhiro; Yang, Liuqing; Ferguson, Joseph S; Zhong, Lijian; Zou, Shuliang; Yuan, Lihua; Zeng, Xiao Cheng; Gong, Bing

2009-02-25

In this article, the highly efficient formation of a series of recently discovered aromatic oligoamide macrocycles consisting of six meta-linked residues is first discussed. The macrocycles, with their backbones rigidified by three-center hydrogen bonds, were found to form in high yields that deviate dramatically from the theoretically allowed value obtained from kinetic simulation of a typical kinetically controlled macrocyclization reaction. The folding of the uncyclized six-residue oligomeric precursors, which belong to a class of backbone-rigidified oligoamides that have been demonstrated by us to adopt well-defined crescent conformations, plays a critical role in the observed high efficiency. Out of two possible mechanisms, one is consistent with experimental results obtained from the coupling of crescent oligoamides of different lengths, which suggests a remote steric effect that discourages the formation of oligomers having lengths longer than the backbone of the six-residue precursors. The suggested mechanism is supported by the efficient formation of very large aromatic oligoamide macrocycles consisting of alternating meta- and para-linked residues. These large macrocycles, having H-bond-rigidified backbones and large internal lumens, are formed in high (>80%) yields on the basis of one-step, multicomponent macrocyclization reactions. The condensation of monomeric meta-diamines and a para-diacid chloride leads to the efficient formation of macrocycles with 14, 16, and 18 residues, corresponding to 70-, 80-, and 90-membered rings that contain internal cavities of 2.2, 2.5, and 2.9 nm across. In addition, the condensation between trimeric or pentameric diamines and a monomeric diacid chloride had resulted in the selective formation of single macrocyclic products with 16 or 18 residues. The efficient formation of the macrocycles, along with the absence of other noncyclic oligomeric and polymeric byproducts, is in sharp contrast to the poor yields associated

8. Chemical kinetics modeling

SciTech Connect

Westbrook, C.K.; Pitz, W.J.

1993-12-01

This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

9. Analysis of Crystallization Kinetics

NASA Technical Reports Server (NTRS)

Kelton, Kenneth F.

1997-01-01

A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.

10. Causal electromagnetic interaction equations

SciTech Connect

Zinoviev, Yury M.

2011-02-15

For the electromagnetic interaction of two particles the relativistic causal quantum mechanics equations are proposed. These equations are solved for the case when the second particle moves freely. The initial wave functions are supposed to be smooth and rapidly decreasing at the infinity. This condition is important for the convergence of the integrals similar to the integrals of quantum electrodynamics. We also consider the singular initial wave functions in the particular case when the second particle mass is equal to zero. The discrete energy spectrum of the first particle wave function is defined by the initial wave function of the free-moving second particle. Choosing the initial wave functions of the free-moving second particle it is possible to obtain a practically arbitrary discrete energy spectrum.

11. Biaxial constitutive equation development

NASA Technical Reports Server (NTRS)

Jordan, E. H.; Walker, K. P.

1984-01-01

In developing the constitutive equations an interdisciplinary approach is being pursued. Specifically, both metallurgical and continuum mechanics considerations are recognized in the formulation. Experiments will be utilized to both explore general qualitative features of the material behavior that needs to be modeled and to provide a means of assessing the validity of the equations being developed. The model under development explicitly recognizes crystallographic slip on the individual slip systems. This makes possible direct representation of specific slip system phenomena. The present constitutive formulation takes the anisotropic creep theory and incorporates two state variables into the model to account for the effect of prior inelastic deformation history on the current rate-dependent response of the material.

12. Nikolaevskiy equation with dispersion.

PubMed

Simbawa, Eman; Matthews, Paul C; Cox, Stephen M

2010-03-01

The Nikolaevskiy equation was originally proposed as a model for seismic waves and is also a model for a wide variety of systems incorporating a neutral "Goldstone" mode, including electroconvection and reaction-diffusion systems. It is known to exhibit chaotic dynamics at the onset of pattern formation, at least when the dispersive terms in the equation are suppressed, as is commonly the practice in previous analyses. In this paper, the effects of reinstating the dispersive terms are examined. It is shown that such terms can stabilize some of the spatially periodic traveling waves; this allows us to study the loss of stability and transition to chaos of the waves. The secondary stability diagram ("Busse balloon") for the traveling waves can be remarkably complicated. PMID:20365845

13. Illite Dissolution Rates and Equation (100 to 280 dec C)

DOE Data Explorer

Carroll, Susan

2014-10-17

The objective of this suite of experiments was to develop a useful kinetic dissolution expression for illite applicable over an expanded range of solution pH and temperature conditions representative of subsurface conditions in natural and/or engineered geothermal reservoirs. Using our new data, the resulting rate equation is dependent on both pH and temperature and utilizes two specific dissolution mechanisms (a “neutral” and a “basic” mechanism). The form of this rate equation should be easily incorporated into most existing reactive transport codes for to predict rock-water interactions in EGS shear zones.

14. Fluid equations in the presence of electron cyclotron current drive

SciTech Connect

Jenkins, Thomas G.; Kruger, Scott E.

2012-12-15

Two-fluid equations, which include the physics imparted by an externally applied radiofrequency source near electron cyclotron resonance, are derived in their extended magnetohydrodynamic forms using the formalism of Hegna and Callen [Phys. Plasmas 16, 112501 (2009)]. The equations are compatible with the closed fluid/drift-kinetic model developed by Ramos [Phys. Plasmas 17, 082502 (2010); 18, 102506 (2011)] for fusion-relevant regimes with low collisionality and slow dynamics, and they facilitate the development of advanced computational models for electron cyclotron current drive-induced suppression of neoclassical tearing modes.

15. On the Role of Viscosity in the Eyring Equation.

PubMed

Kistemaker, Jos C M; Lubbe, Anouk S; Bloemsma, Erik A; Feringa, Ben L

2016-06-17

Transition-state theory allows for the characterization of kinetic processes in terms of enthalpy and entropy of activation by using the Eyring equation. However, for reactions in solution, it fails to take the change of viscosity of solvents with temperature into account. A second-generation unidirectional rotary molecular motor was used as a probe to study the effects of temperature-dependent viscosity changes upon unimolecular thermal isomerization processes. By combining the free-volume model with transition-state theory, a modified version of the Eyring equation was derived, in which the rate is expressed in terms of both temperature and viscosity. PMID:26853537

16. Simple jumping process with memory: Transport equation and diffusion

NASA Astrophysics Data System (ADS)

Kamińska, A.; Srokowski, T.

2004-06-01

We present a stochastic jumping process, defined in terms of jump-size probability density and jumping rate, which is a generalization of the well-known kangaroo process. The definition takes into account two process values: after and before the jump. Therefore, the process is able to preserve memory about its previous values. It possesses a simple stationary limit. Its master equation is interpreted as the kinetic equation with variable collision rate. The process can be easily applied to model systems which relax to distributions other than Maxwellian. The case of a constant jumping rate corresponds to the diffusion process, either normal or ballistic.

17. Singularities for PRANDTL'S Equations

NASA Astrophysics Data System (ADS)

Lo Bosco, G.; Sammartino, M.; Sciacca, V.

2006-03-01

We use a mixed spectral/finite-difference numerical method to investigate the possibility of a finite time blow-up of the solutions of Prandtl's equations for the case of the impulsively started cylinder. Our tool is the complex singularity tracking method. We show that a cubic root singularity seems to develop, in a time that can be made arbitrarily short, from a class of data uniformly bounded in H1.

18. Multinomial diffusion equation

NASA Astrophysics Data System (ADS)

Balter, Ariel; Tartakovsky, Alexandre M.

2011-06-01

We describe a new, microscopic model for diffusion that captures diffusion induced fluctuations at scales where the concept of concentration gives way to discrete particles. We show that in the limit as the number of particles N→∞, our model is equivalent to the classical stochastic diffusion equation (SDE). We test our new model and the SDE against Langevin dynamics in numerical simulations, and show that our model successfully reproduces the correct ensemble statistics, while the classical model fails.

19. Multinomial diffusion equation

SciTech Connect

Balter, Ariel I.; Tartakovsky, Alexandre M.

2011-06-24

We describe a new, microscopic model for diffusion that captures diffusion induced uctuations at scales where the concept of concentration gives way to discrete par- ticles. We show that in the limit as the number of particles N ! 1, our model is equivalent to the classical stochastic diffusion equation (SDE). We test our new model and the SDE against Langevin dynamics in numerical simulations, and show that our model successfully reproduces the correct ensemble statistics, while the classical model fails.

20. Student-Generated Equations

ERIC Educational Resources Information Center

Vasile, Daniela

2012-01-01

We are frequently told that Hong Kong has a model system for learning mathematics. In this article Daniela Vasile notes one short-coming in that the pupils are not taught to problem-solve. She begins with a new class by asking them to write down the craziest equation they can come up with and bases her whole lesson, and the following homework,…

1. Generalized reduced MHD equations

SciTech Connect

Kruger, S.E.; Hegna, C.C.; Callen, J.D.

1998-07-01

A new derivation of reduced magnetohydrodynamic (MHD) equations is presented. A multiple-time-scale expansion is employed. It has the advantage of clearly separating the three time scales of the problem associated with (1) MHD equilibrium, (2) fluctuations whose wave vector is aligned perpendicular to the magnetic field, and (3) those aligned parallel to the magnetic field. The derivation is carried out without relying on a large aspect ratio assumption; therefore this model can be applied to any general toroidal configuration. By accounting for the MHD equilibrium and constraints to eliminate the fast perpendicular waves, equations are derived to evolve scalar potential quantities on a time scale associated with the parallel wave vector (shear-alfven wave time scale), which is the time scale of interest for MHD instability studies. Careful attention is given in the derivation to satisfy energy conservation and to have manifestly divergence-free magnetic fields to all orders in the expansion parameter. Additionally, neoclassical closures and equilibrium shear flow effects are easily accounted for in this model. Equations for the inner resistive layer are derived which reproduce the linear ideal and resistive stability criterion of Glasser, Greene, and Johnson.

2. The Drake Equation revisited

NASA Astrophysics Data System (ADS)

Konesky, Gregory

2009-08-01

In the almost half century since the Drake Equation was first conceived, a number of profound discoveries have been made that require each of the seven variables of this equation to be reconsidered. The discovery of hydrothermal vents on the ocean floor, for example, as well as the ever-increasing extreme conditions in which life is found on Earth, suggest a much wider range of possible extraterrestrial habitats. The growing consensus that life originated very early in Earth's history also supports this suggestion. The discovery of exoplanets with a wide range of host star types, and attendant habitable zones, suggests that life may be possible in planetary systems with stars quite unlike our Sun. Stellar evolution also plays an important part in that habitable zones are mobile. The increasing brightness of our Sun over the next few billion years, will place the Earth well outside the present habitable zone, but will then encompass Mars, giving rise to the notion that some Drake Equation variables, such as the fraction of planets on which life emerges, may have multiple values.

3. Fully implicit kinetic modelling of collisional plasmas

SciTech Connect

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.

4. Substrate inhibition kinetics of phenol biodegradation

SciTech Connect

Goudar, C.T.; Ganji, S.H.; Pujar, B.G.; Strevett, K.A.

2000-02-01

Phenol biodegradation was studied in batch experiments using an acclimated inoculum and initial phenol concentrations ranging from 0.1 to 1.3 g/L. Phenol depletion an associated microbial growth were monitored over time to provide information that was used to estimate the kinetics of phenol biodegradation. Phenol inhibited biodegradation at high concentrations, and a generalized substrate inhibition model based on statistical thermodynamics was used to describe the dynamics of microbial growth in phenol. For experimental data obtained in this study, the generalized substrate inhibition model reduced to a form that is analogous to the Andrews equation, and the biokinetic parameters {micro}{sub max}, maximum specific growth; K{sub s}, saturation constant; and K{sub i}, inhibition constant were estimated as 0.251 h{sup {minus}1}, 0.011 g/L, and 0.348 g/L, respectively, using a nonlinear least squares technique. Given the wide variability in substrate inhibition models used to describe phenol biodegradation, an attempt was made to justify selection of particular model based on theoretical considerations. Phenol biodegradation data from nine previously published studies were used in the generalized substrate inhibition model to determine the appropriate form of the substrate inhibition model. In all nine cases, the generalized substrate inhibition model reduced to a form analogous to the Andrews equation suggesting the suitability of the Andrews equation to describe phenol biodegradation data.

5. Rainfall kinetic energy-intensity and rainfall momentum-intensity relationships for Cape Verde

NASA Astrophysics Data System (ADS)

Sanchez-Moreno, Juan Francisco; Mannaerts, Chris M.; Jetten, Victor; Löffler-Mang, Martin

2012-08-01

Momentum and kinetic energy of rainfall are widely used indices to describe erosivity, the ability of rainfall to detach soil particles and erode the landscape. An optical laser disdrometer was installed in Santiago Island, Cape Verde, between September 2008 and September 2010 to measure rainfall intensity and size distribution of raindrops. A total time series of 5129 observations of radar reflectivity, visibility, rainfall intensity and number of particles were gathered. Rainfall kinetic energy expenditure KEtime (J m-2 h-1), kinetic energy content KEmm (J m-2 mm-1) and momentum flux MtA (kg m s-1 m-2 s-1) were calculated and fitted to different known experimental equations. The best fit between rainfall intensity and kinetic energy expenditure, kinetic energy content and momentum were obtained with power-law equations. These equations were validated in two independent events corresponding to 2008 and 2009, producing high correlation coefficients. The results show that for Cape Verde, KEtime is a more appropriate index to relate with rainfall intensity, and that kinetic energy expenditure and momentum flux are interchangeable parameters for erosivity estimation. New relationships relating kinetic energy and rainfall intensity, and momentum and rainfall intensity were derived, which contribute to the characterization of rainfall originating from tropical depressions at lower latitudes.

6. In vitro dissolution kinetic study of theophylline from hydrophilic and hydrophobic matrices.

PubMed

Maswadeh, Hamzah M; Semreen, Mohammad H; Abdulhalim, Abdulatif A

2006-01-01

Oral dosage forms containing 300 mg theophylline in matrix type tablets, were prepared by direct compression method using two kinds of matrices, glycerylbehenate (hydrophobic), and (hydroxypropyl)methyl cellulose (hydrophilic). The in vitro release kinetics of these formulations were studied at pH 6.8 using the USP dissolution apparatus with the paddle assemble. The kinetics of the dissolution process were studied by analyzing the dissolution data using four kinetic equations, the zero-order equation, the first-order equation, the Higuchi square root equation and the Hixson-Crowell cube root law. The analysis of the dissolution kinetic data for the theophylline preparations in this study shows that it follows the first order kinetics and the release process involves erosion / diffusion and an alteration in the surface area and diameter of the matrix system, as well as in the diffusion path length from the matrix drug load during the dissolution process. This relation is best described by the use of both the first-order equation and the Hixson-Crowell cube root law. PMID:17515331

7. Master equation calculations of cluster formation in supersonic jets

NASA Astrophysics Data System (ADS)

Wolf, K.; Kuge, H.-H.; Kleinermanns, K.

1991-12-01

The kinetics of cluster formation in supersonic jets is examined by numerical integration of the master equation system. Some general characteristics of cluster kinetics could be formulated. Excellent agreement between experimental curves of p-cresol (H2O)0, 1, 2, 3 formation as function of H2O pressure and the corresponding calculated curves were obtained assuming successive cluster formation. From the kinetic curves, an unambiguous assignment of cluster size was possible which agreed with mass-resolved REMPI measurements. The fit of the rate coefficients shows the formation of p-cresol (H2O)1 to be faster than p-cresol (H2O)2 and p-cresol (H2O)3.

8. Kinetics and mechanism of N-chloromethylamine decomposition in solutions

NASA Astrophysics Data System (ADS)

Kuznetsov, V. V.; Vedenyapina, M. D.; Pleshchev, M. I.; Gashev, S. B.; Makhova, N. N.; Vedenyapin, A. A.

2016-03-01

Kinetics of N-chloromethylamine decomposition in an aqueous base medium and chloroform at different temperatures is studied. The decomposition of N-chloromethylamine is found to obey a second order equation in an aqueous base medium at an equimolar ratio of the reagents and a first order equation in chloroform with excess base. The activation energy of N-chloromethylamine decomposition in the both solvents is determined. A mechanism for the reaction is proposed. N-Chloromethylamine is shown to have approximately equal stability in these solvents within the studied temperature range.

9. Group-kinetic theory and modeling of atmospheric turbulence

NASA Technical Reports Server (NTRS)

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.

10. Test-particle method in kinetic theory of a plasma.

NASA Technical Reports Server (NTRS)

Matsuda, K.

1971-01-01

The introduction of a test particle into a system is considered. The system may be described by the Born-Bogoliubov-Green-Kirkwood-Yvon hierarchy. The field particles form a cloud which surrounds the test particle. The cloud is described by a conditional probability function which satisfies a certain equation. A generalization of the superposition principle reported by Rostoker (1964) to higher order correlation functions is discussed. Kinetic equations with the generalized Lenard-Balescu term are obtained, taking into account also diffusion by waves. The characteristics regarding the absorption or emission of waves by particles can be calculated.

11. Non-minimal Kinetic coupling to gravity and accelerated expansion

SciTech Connect

Granda, L.N.

2010-07-01

We study a scalar field with kinetic term coupled to itself and to the curvature, as a source of dark energy, and analyze the role of this new coupling in the accelerated expansion at large times. In the case of scalar field dominance, the scalar field and potential giving rise to power-law expansion are found in some cases, and a dynamical equation of state is calculated for a given solution of the field equations. A behavior very close to that of the cosmological constant was found.

12. Relativistically strong Langmuir turbulence in the kinetic regime

SciTech Connect

Liu, X. L.; Liu, S. Q.; Li, X. Q.

2011-08-15

Using a kinetic description, the relativistically strong Langmuir turbulence is investigated, which has considered the nonlinear wave-wave, wave-particle interactions and the relativistic effects of electrons. The relativistic Zakharov equations have been obtained. On the basis of these equations, dynamics of collapse has been studied. It is shown that the field strength of relativistic Langmuir plasmons will increase and the ponderomotive expulsion of particles gives rise to the formation of density caviton during the collapsing, which is useful for understanding the natural structural element of relativistically strong Langmuir turbulence.

13. Kinetics of fiber solidification

PubMed Central

Mercader, C.; Lucas, A.; Derré, A.; Zakri, C.; Moisan, S.; Maugey, M.; Poulin, P.

2010-01-01

Many synthetic or natural fibers are produced via the transformation of a liquid solution into a solid filament, which allows the wet processing of high molecular weight polymers, proteins, or inorganic particles. Synthetic wet-spun fibers are used in our everyday life from clothing to composite reinforcement applications. Spun fibers are also common in nature. Silk solidification results from the coagulation of protein solutions. The chemical phenomena involved in the formation of all these classes of fibers can be quite different but they all share the same fundamental transformation from a liquid to a solid state. The solidification process is critical because it governs the production rate and the strength that fibers can sustain to be drawn and wound. An approach is proposed in this work to investigate the kinetics of fiber solidification. This approach consists in circulating solidifying fibers in the extensional flow of a surrounding liquid. Such as polymers in extensional flows, the fibers break if resultant drag forces exceed the fiber tensile strength. The solidification kinetics of nanotube composite fibers serves as a validation example of this approach. The method could be extended to other systems and advance thereby the science and technology of fiber and textile materials. It is also a way to directly visualize the scission of chain-like systems in extensional flows. PMID:20937910

14. Kinetics of fiber solidification.

PubMed

Mercader, C; Lucas, A; Derré, A; Zakri, C; Moisan, S; Maugey, M; Poulin, P

2010-10-26

Many synthetic or natural fibers are produced via the transformation of a liquid solution into a solid filament, which allows the wet processing of high molecular weight polymers, proteins, or inorganic particles. Synthetic wet-spun fibers are used in our everyday life from clothing to composite reinforcement applications. Spun fibers are also common in nature. Silk solidification results from the coagulation of protein solutions. The chemical phenomena involved in the formation of all these classes of fibers can be quite different but they all share the same fundamental transformation from a liquid to a solid state. The solidification process is critical because it governs the production rate and the strength that fibers can sustain to be drawn and wound. An approach is proposed in this work to investigate the kinetics of fiber solidification. This approach consists in circulating solidifying fibers in the extensional flow of a surrounding liquid. Such as polymers in extensional flows, the fibers break if resultant drag forces exceed the fiber tensile strength. The solidification kinetics of nanotube composite fibers serves as a validation example of this approach. The method could be extended to other systems and advance thereby the science and technology of fiber and textile materials. It is also a way to directly visualize the scission of chain-like systems in extensional flows. PMID:20937910

15. Kinetics of coal pyrolysis

SciTech Connect

Seery, D.J.; Freihaut, J.D.; Proscia, W.M. ); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. ); Jenkins, R.; Mallin, J.; Espindola-Merin, B. ); Essenhigh, R.; Misra, M.K. )

1989-07-01

This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.

16. Mechanism and kinetics of the vapor-phase hydrogenation of acetone and dehydrogenation of 2-propanol on a platinum catalyst

SciTech Connect

Golodets, G.I.; Pavlenko, N.V.; Tripol'skii, A.I.

1986-09-01

A study was carried out on the mechanism and kinetics of the vapor-phase hydrogenation of acetone and the dehydrogenation of 2-propanol on a Pt/ A1/sub 2/O/sub 3/ catalyst. A general kinetic equation was obtained describing both the forward and reverse reactions.

17. Propagation of radiation in fluctuating multiscale plasmas. II. Kinetic simulations

SciTech Connect

Pal Singh, Kunwar; Robinson, P. A.; Cairns, Iver H.; Tyshetskiy, Yu.

2012-11-15

A numerical algorithm is developed and tested that implements the kinetic treatment of electromagnetic radiation propagating through plasmas whose properties have small scale fluctuations, which was developed in a companion paper. This method incorporates the effects of refraction, damping, mode structure, and other aspects of large-scale propagation of electromagnetic waves on the distribution function of quanta in position and wave vector, with small-scale effects of nonuniformities, including scattering and mode conversion approximated as causing drift and diffusion in wave vector. Numerical solution of the kinetic equation yields the distribution function of radiation quanta in space, time, and wave vector. Simulations verify the convergence, accuracy, and speed of the methods used to treat each term in the equation. The simulations also illustrate the main physical effects and place the results in a form that can be used in future applications.

18. Kinetic Method for Hydrogen-Deuterium-Tritium Mixture Distillation Simulation

SciTech Connect

Sazonov, A.B.; Kagramanov, Z.G.; Magomedbekov, E.P.

2005-07-15

Simulation of hydrogen distillation plants requires mathematical procedures suitable for multicomponent systems. In most of the present-day simulation methods a distillation column is assumed to be composed of theoretical stages, or plates. However, in the case of a multicomponent mixture theoretical plate does not exist.An alternative kinetic method of simulation is depicted in the work. According to this method a system of mass-transfer differential equations is solved numerically. Mass-transfer coefficients are estimated with using experimental results and empirical equations.Developed method allows calculating the steady state of a distillation column as well as its any non-steady state when initial conditions are given. The results for steady states are compared with ones obtained via Thiele-Geddes theoretical stage technique and the necessity of using kinetic method is demonstrated. Examples of a column startup period and periodic distillation simulations are shown as well.

19. Kinetic Description of Vacuum Creation of Massive Vector Bosons

SciTech Connect

Blaschke, D.B.; Prozorkevich, A.V.; Smolyansky, S.A.; Reichel, A.V.

2005-06-01

In the simple model of massive vector field in a flat spacetime, we derive the kinetic equation of non-Markovian type describing the vacuum pair creation under action of external fields of different nature. We use for this aim the nonperturbative methods of kinetic theory in combination with a new element when the transition of the instantaneous quasiparticle representation is realized within the oscillator (holomorphic) representation. We study in detail the process of vacuum creation of vector bosons generated by a time-dependent boson mass in accordance with the framework of a conformal-invariant scalar-tensor gravitational theory and its cosmological application. It is indicated that the choice of the equation of state allows one to obtain a number density of vector bosons that is sufficient to explain the observed number density of photons in the cosmic microwave background radiation.

20. Kinetic modeling of Nernst effect in magnetized hohlraums

NASA Astrophysics Data System (ADS)

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.

1. Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

NASA Astrophysics Data System (ADS)

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

2014-11-01

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.

2. Reproducing Phenomenology of Peroxidation Kinetics via Model Optimization

NASA Astrophysics Data System (ADS)

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.

3. Model Lorentz-like equation with continuous spectrum

NASA Astrophysics Data System (ADS)

Dudyński, Marek

2016-07-01

We present a new model of the Lorentz gas kinetic equation for a system where the integral collision operator has a spectrum consisting of a continuous and discrete part. The spectral gap between the two kinds of the spectrum is an adjustable parameter of the model. This allows for the analysis of the existence and property of the hydrodynamical eigenstates and the meaning of the Grad's method of moments for the transition between hard and soft interactions.

4. Fluid flow and chemical reaction kinetics in metamorphic systems

SciTech Connect

Lasaga, A.C.; Rye, D.M. )

1993-05-01

The treatment and effects of chemical reaction kinetics during metamorphism are developed along with the incorporation of fluid flow, diffusion, and thermal evolution. The interplay of fluid flow and surface reaction rates, the distinction between steady state and equilibrium, and the possible overstepping of metamorphic reactions are discussed using a simple analytic model. This model serves as an introduction to the second part of the paper, which develops a reaction model that solves the coupled temperature-fluid flow-chemical composition differential equations relevant to metamorphic processes. Consideration of stable isotopic evidence requires that such a kinetic model be considered for the chemical evolution of a metamorphic aureole. A general numerical scheme is discussed to handle the solution of the model. The results of this kinetic model allow us to reach several important conclusions regarding the factors controlling the chemical evolution of mineral assemblages during a metamorphic event. 41 refs., 19 figs., 5 tabs.

5. Incorporation of aqueous reaction and sorption kinetics andbiodegradation into TOUGHREACT

SciTech Connect

Xu, Tianfu

2006-04-17

The needs for considering aqueous and sorption kinetics and microbiological processes arises in many subsurface problems, such as environmental and acid mine remediation. A general rate expression has been implemented into TOUGHREACT, which considers multiple mechanisms(pathways) and includes multiple product, Monod, and inhibition terms. In this paper, the formulation for incorporating kinetic rates among primary species into the mass balance equations is presented. A batch sulfide oxidation problem is simulated. The resulting concentrations are consistent with simple hand calculations. A 1-D reactive transport problem with kinetic biodegradation and sorption was investigated, which models the processes when a pulse of water containing NTA (nitrylotriacetate) and cobalt is injected into a column. The problem has several interacting chemical processes that are common to many environmental problems: biologically-mediated degradation of an organic substrate, bacterial cell growth and decay, metal sorption and aqueous speciation including metal-ligand complexation. The TOUGHREACT simulation results agree very well with those obtained with other simulators.

6. Kinetic model of continuous-wave flow chemical lasers

NASA Astrophysics Data System (ADS)

Gao, Z.; X., E.

1982-02-01

A kinetic approach to modeling the gain in a chemical wave continuous laser when the lasing frequency is coincident with the center of the line shape is presented. Governing equations are defined for the relaxing behavior of an initially nonequilibrium distribution toward the local equilibrium Boltzmann-Maxwellian distribution. A new gain is introduced which is related to the thermal motion of the molecules and cold-reaction and premixed CW models are discussed. Coincidence of the lasing frequency with the line shape is demonstrated to result in a radiative intensity within the homogeneous broadening limit. The rate model predictions are compared with those of the kinetic model. It is found that when the broadening parameter is less than 0.2 the kinetic model more accurately describes the behavior of the CW chemical laser.

7. Fast algorithm for calculating chemical kinetics in turbulent reacting flow

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.; Pratt, D. T.

1986-01-01

This paper addresses the need for a fast batch chemistry solver to perform the kinetics part of a split operator formulation of turbulent reacting flows, with special attention focused on the solution of the ordinary differential equations governing a homogeneous gas-phase chemical reaction. For this purpose, a two-part predictor-corrector algorithm which incorporates an exponentially fitted trapezoidal method was developed. The algorithm performs filtering of ill-posed initial conditions, automatic step-size selection, and automatic selection of Jacobi-Newton or Newton-Raphson iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm, termed CREK1D (combustion reaction kinetics, one-dimensional), compared favorably with the code LSODE when tested on two representative problems drawn from combustion kinetics, and is faster than LSODE.

8. Phase-ordering kinetics on curved surfaces

NASA Astrophysics Data System (ADS)

Schoenborn, Oliver Lars

I investigate phase-ordering kinetics on static curved surfaces, starting from a well-known time-dependent Ginzburg-Landau equation, known as model A and valid in flat two-dimensional systems, and generalizing this to apply on curved surfaces. I develop and implement an interface formalism for model A, valid in both curved and flat surfaces. This is based on an interface velocity equation explicitly showing how interface motion couples to local surface geometry. I discuss extensively both theoretical and numerical aspects of this formalism. I derive a coupled set of curvature equations and use them to obtain an approximate expression for the curvature autocorrelation function (CAF) in the flat case. This is compared for the first time to numerical simulation results and shows that the CAF provides dynamical information not readily available from the traditional order-parameter structure-factor, yet is far easier to compute than the latter. A dominant length-scale is observed for the first time, in the domain interface undulations, even in Euclidean model A dynamics. I discuss how this affects the interpretation of what is needed for a system to exhibit dynamical scaling. I look at the effect of surface Gauss curvature on the growth rate of domains and show that when the phase-ordering occurs on a corrugated surface, metastable long-range disorder may result. I show how these effects cause a break-down of dynamical scaling and power-law growth, how they bring about the elimination of the zero-temperature fixed point of Euclidean model A, and how phase-ordering in curved lipid-bilayer membranes should be affected. A new very-late stage regime appears for simulations of model A on sinusoid (i.e. egg-carton-like) surfaces. These features indicate that thermal noise should be included in future studies of phase ordering kinetics on curved surfaces. They also indicate that even before the order-parameter is explicitly coupled to surface quantities such as the local mean

9. Chemical kinetics on extrasolar planets.

PubMed

Moses, Julianne I

2014-04-28

Chemical kinetics plays an important role in controlling the atmospheric composition of all planetary atmospheres, including those of extrasolar planets. For the hottest exoplanets, the composition can closely follow thermochemical-equilibrium predictions, at least in the visible and infrared photosphere at dayside (eclipse) conditions. However, for atmospheric temperatures approximately <2000K, and in the uppermost atmosphere at any temperature, chemical kinetics matters. The two key mechanisms by which kinetic processes drive an exoplanet atmosphere out of equilibrium are photochemistry and transport-induced quenching. I review these disequilibrium processes in detail, discuss observational consequences and examine some of the current evidence for kinetic processes on extrasolar planets. PMID:24664912

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

SciTech Connect

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.

11. Kinetics of electron cooling of positrons in a storage ring

SciTech Connect

Men'shikov, L. I.

2008-06-15

Kinetic equations are derived for the positron velocity distribution in storage rings with electron cooling. Both drag force and components of the velocity diffusion tensor are calculated. The mechanism of approach to a steady-state positron velocity distribution via electron cooling is discussed. It is shown that the resulting steady-state positron distribution is very close to the electron distribution when the magnetic field is sufficiently strong.

12. Kinetics and isotherms of Neutral Red adsorption on peanut husk.

PubMed

Han, Runping; Han, Pan; Cai, Zhaohui; Zhao, Zhenhui; Tang, Mingsheng

2008-01-01

Adsorption of Neutral Red (NR) onto peanut husk in aqueous solutions was investigated at 295 K. Experiments were carried out as function of pH, adsorbent dosage, contact time, and initial concentration. The equilibrium adsorption data were analyzed by Langmuir, Freundlich, Temkin, Dubinin-Radushkevich, and Toth isotherm models. The results indicated that the Toth and Langmuir models provided the best correlation of the experimental data. The adsorption capacity of peanut husk for the removal of NR was determined with the Langmuir and found to be 37.5 mg/g at 295 K. The adsorption kinetic data were modeled using the pseudo-first order, pseudo-second order, and intra-particle diffusion kinetic equations. It was seen that the pseudo-first order and pseudo-second order kinetic equations could describe the adsorption kinetics. The intraparticle diffusion model was also used to express the adsorption process at the two-step stage. It was implied that peanut husk may be suitable as adsorbent material for adsorption of NR from aqueous solutions. PMID:19143308

13. An efficient chemical kinetics solver using high dimensional model representation

SciTech Connect

Shorter, J.A.; Ip, P.C.; Rabitz, H.A.

1999-09-09

A high dimensional model representation (HDMR) technique is introduced to capture the input-output behavior of chemical kinetic models. The HDMR expresses the output chemical species concentrations as a rapidly convergent hierarchical correlated function expansion in the input variables. In this paper, the input variables are taken as the species concentrations at time t{sub i} and the output is the concentrations at time t{sub i} + {delta}, where {delta} can be much larger than conventional integration time steps. A specially designed set of model runs is performed to determine the correlated functions making up the HDMR. The resultant HDMR can be used to (1) identify the key input variables acting independently or cooperatively on the output, and (2) create a high speed fully equivalent operational model (FEOM) serving to replace the original kinetic model and its differential equation solver. A demonstration of the HDMR technique is presented for stratospheric chemical kinetics. The FEOM proved to give accurate and stable chemical concentrations out to long times of many years. In addition, the FEOM was found to be orders of magnitude faster than a conventional stiff equation solver. This computational acceleration should have significance in many chemical kinetic applications.

14. Differential Equations Compatible with Boundary Rational qKZ Equation

NASA Astrophysics Data System (ADS)

Takeyama, Yoshihiro

2011-10-01

We give diffierential equations compatible with the rational qKZ equation with boundary reflection. The total system contains the trigonometric degeneration of the bispectral qKZ equation of type (Cěen, Cn) which in the case of type GLn was studied by van Meer and Stokman. We construct an integral formula for solutions to our compatible system in a special case.

15. The compressible adjoint equations in geodynamics: equations and numerical assessment

NASA Astrophysics Data System (ADS)

Ghelichkhan, Siavash; Bunge, Hans-Peter

2016-04-01

The adjoint method is a powerful means to obtain gradient information in a mantle convection model relative to past flow structure. While the adjoint equations in geodynamics have been derived for the conservation equations of mantle flow in their incompressible form, the applicability of this approximation to Earth is limited, because density increases by almost a factor of two from the surface to the Core Mantle Boundary. Here we introduce the compressible adjoint equations for the conservation equations in the anelastic-liquid approximation. Our derivation applies an operator formulation in Hilbert spaces, to connect to recent work in seismology (Fichtner et al (2006)) and geodynamics (Horbach et al (2014)), where the approach was used to derive the adjoint equations for the wave equation and incompressible mantle flow. We present numerical tests of the newly derived equations based on twin experiments, focusing on three simulations. A first, termed Compressible, assumes the compressible forward and adjoint equations, and represents the consistent means of including compressibility effects. A second, termed Mixed, applies the compressible forward equation, but ignores compressibility effects in the adjoint equations, where the incompressible equations are used instead. A third simulation, termed Incompressible, neglects compressibility effects entirely in the forward and adjoint equations relative to the reference twin. The compressible and mixed formulations successfully restore earlier mantle flow structure, while the incompressible formulation yields noticeable artifacts. Our results suggest the use of a compressible formulation, when applying the adjoint method to seismically derived mantle heterogeneity structure.

16. Estimating Equating Error in Observed-Score Equating. Research Report.

ERIC Educational Resources Information Center

van der Linden, Wim J.

Traditionally, error in equating observed scores on two versions of a test is defined as the difference between the transformations that equate the quantiles of their distributions in the sample and in the population of examinees. This definition underlies, for example, the well-known approximation to the standard error of equating by Lord (1982).…

17. Young's equation revisited.

PubMed

Makkonen, Lasse

2016-04-01

Young's construction for a contact angle at a three-phase intersection forms the basis of all fields of science that involve wetting and capillary action. We find compelling evidence from recent experimental results on the deformation of a soft solid at the contact line, and displacement of an elastic wire immersed in a liquid, that Young's equation can only be interpreted by surface energies, and not as a balance of surface tensions. It follows that the a priori variable in finding equilibrium is not the position of the contact line, but the contact angle. This finding provides the explanation for the pinning of a contact line. PMID:26940644

18. Kinetic and reactor models for HDT of middle distillates

SciTech Connect

Cotta, R.M.; Filho, R.M.

1996-12-31

Hydrodesulfurization (HDS) and hydrodenitrogenation (HDN) of middle distillates over a commercial Ni-Mo/y-Al{sub 2}O{sub 3} has been studied under wide operating conditions just as 340 to 380{degrees}C and 38 to 98 atm. A Power Law model was presented to each one of those reactions. The parameters of kinetic equations were estimated solving the ordinary differential equations by the 4 order Runge-Kutta-Gill algorithm and Marquardt method for searching of set of kinetic parameters (kinetic constants as well as the orders of reactions). An adiabatic diesel hydrotreating trickle-bed reactor packed with the same catalyst was simulated numerically in order to check up the behavior of this specific reaction system. One dimensional pseudo-homogeneous model was used in this work. For each feed, the mass and energy balance equations were integrated along the length of the catalytic bed using the 4th Runge-Kutta-Gill method. The performance of two industrial reactors was checked. 5 refs., 2 tabs.

19. On the pyrolysis kinetics of scrap automotive tires.

PubMed

Chen, J H; Chen, K S; Tong, L Y

2001-06-01

Pyrolysis kinetics of scrap tires of passenger car and truck have been investigated thermogravimetrically under heating rates of 5, 10, 20 and 30K/min and temperature range 373-1273K in nitrogen. The results show that the initial reaction temperatures are 482-521K for the tire of passenger car and 458-511K for truck tire. Both tires exhibit similar behaviors that the initial reaction temperature decreases, but reaction range and reaction rate increase when heating rate is increased. The overall rate equation for each tire can be modeled satisfactorily by a simple one equation from which the kinetic parameters such as the activation energy (E), the pre-exponential factor (A), and the reaction order (n) of unreacted material based on Arrhenius form are determined using Friedman's method. The results show that two tires behave similarly and the average kinetic parameters of two tires are E = 147.95 +/- 0.21kJ/mol, A = (6.295 +/- 1.275)x10(10)min(-1), and n = 1.81 +/- 0.18. The predicted rate equations compare fairly well with the measured data. PMID:11376883

20. A disordered kinetic superinductor

NASA Astrophysics Data System (ADS)

Hays, M.; de Lange, G.; Serniak, K.; Wang, Z.; Vool, U.; Frunzio, L.; Devoret, M. H.

The superinductance is a superconducting circuit element whose reactance exceeds the resistance quantum at the relevant microwave operation frequencies of quantum circuits. It must also be as non-dissipative as possible. Such an element is key to the fluxonium artificial atom, a highly anharmonic, charge insensitive superconducting qubit that has been proposed as the detection circuit for Majorana Fermions. So far fluxonium qubits are made exclusively from arrays of Al-AlOx-Al Josephson junctions. However, aluminium is difficult to employ in conjunction with the strong magnetic fields required in Majorana Fermion experiments. The large kinetic inductance of highly resistive disordered superconducting alloys, such as NbTiN, is currently explored as an alternative material for superinductance in quantum electronic circuits. We report the results of measurement of quality factors and phase-slip rates of high-impedance resonators made from thin-film NbTiN. Work supported by: ARO, ONR, AFOSR and YINQE.