Radiation reaction in curved space-time: local method

Although consensus seems to exist about the validity of equations accounting for radiation reaction in curved space-time, their previous derivations were criticized recently as not fully satisfactory: some ambiguities were noticed in the procedure of integration of the field momentum over the tube surrounding the world-line. To avoid these problems we suggest a purely local derivation dealing with the field quantities defined only {\em on the world-line}. We consider point particle interacting with scalar, vector (electromagnetic) and linearized gravitational fields in the (generally non-vacuum) curved space-time. To properly renormalize the self-action in the gravitational case, we use a manifestly reparameterization-invariant formulation of the theory. Scalar and vector divergences are shown to cancel for a certain ratio of the corresponding charges. We also report on a modest progress in extending the results for the gravitational radiation reaction to the case of non-vacuum background.Comment: 10 pages, ws-procs9x6, published in "Gravitation and Astrophysics", Proceedings of the VII Asia-Pacific International Conference National Central University, Taiwan 23 - 26 November 2005, ed. J.M. Nester, C.-M. Chen, J.-P. Hsu. World Scientific, 2006, pp. 345-35

On-line monitoring of the transesterification reaction between triglycerides and ethanol using near infrared spectroscopy combined with gas chromatography

Many analytical procedures have been developed to determine the composition of reaction mixtures during transesterification of vegetable oils with alcohols. However, despite their accuracy, these methods are time consuming and cannot be easily used for on-line monitoring. In this work, a fast analytical method was developed to on-line monitor the transesterification reaction of high oleic sunflower oil with ethanol using Near InfraRed spectroscopy and a multivariate approach. The reactions were monitored through sequential scans of the reaction medium with a probe in a one-liter batch reactor without collecting and preparing samples. To calibrate the NIR analytical method, gas chromatography-flame ionization detection was used as a reference method. The method was validated by studying the kinetics of the EtONa-catalyzed transesterification reaction. Activation energy (51.0 kJ/mol) was also determined by considering a pseudo second order kinetics model

An adaptive pseudo-spectral method for reaction diffusion problems

The spectral interpolation error was considered for both the Chebyshev pseudo-spectral and Galerkin approximations. A family of functionals I sub r (u), with the property that the maximum norm of the error is bounded by I sub r (u)/J sub r, where r is an integer and J is the degree of the polynomial approximation, was developed. These functionals are used in the adaptive procedure whereby the problem is dynamically transformed to minimize I sub r (u). The number of collocation points is then chosen to maintain a prescribed error bound. The method is illustrated by various examples from combustion problems in one and two dimensions

Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method

The reaction ensemble and the constant pH method are well-known chemical equilibrium approaches to simulate protonation and deprotonation reactions in classical molecular dynamics and Monte Carlo simulations. In this article, we show similarity between both methods {under certain conditions}. We perform molecular dynamics simulations of a weak polyelectrolyte in order to compare the titration curves obtained by both approaches. Our findings reveal a good agreement between the methods when the reaction ensemble is used to sweep the reaction constant. Pronounced differences between the reaction ensemble and the constant pH method can be observed for stronger acids and bases in terms of adaptive pH values. These deviations are due to the presence of explicit protons in the reaction ensemble method which induce a screening of electrostatic interactions between the charged titrable groups of the polyelectrolyte. The outcomes of our simulation hint to a better applicability of the reaction ensemble method for systems in confined geometries and titrable groups in polyelectrolytes with different pK$_\text{a}$ values.Comment: 3 figure

New description of four-body breakup reaction

We present a novel method of smoothing discrete breakup cross sections calculated by the method of continuum-discretized coupled-channels. The method based on the complex scaling method is tested with success for $^{58}$Ni($d$, $pn$) reaction at 80 MeV as an example of a three-body breakup reaction, and applied to $^{12}$C($^6$He, $nn^4$He) reaction at 229.8 MeV as a typical example of a four-body breakup reaction. The new method does not need to derive continuum states of the projectile in order to evaluate the breakup cross section as a smooth factor of the excitation energy of the projectile. Fast convergence of the breakup cross section with respect to extending the modelspace is confirmed. For the $^6$He breakup cross section, the resonant component is separated from the non-resonant one.Comment: 5 pages, 5 figure

Construction of an isotropic cellular automaton for a reaction-diffusion equation by means of a random walk

We propose a new method to construct an isotropic cellular automaton corresponding to a reaction-diffusion equation. The method consists of replacing the diffusion term and the reaction term of the reaction-diffusion equation with a random walk of microscopic particles and a discrete vector field which defines the time evolution of the particles. The cellular automaton thus obtained can retain isotropy and therefore reproduces the patterns found in the numerical solutions of the reaction-diffusion equation. As a specific example, we apply the method to the Belousov-Zhabotinsky reaction in excitable media

Imaginary-time method for radiative capture reaction rate

We propose a new computational method for astrophysical reaction rate of radiative capture process. In the method, an evolution of a wave function is calculated along the imaginary-time axis which is identified as the inverse temperature. It enables direct evaluation of reaction rate as a function of temperature without solving any scattering problem. The method is tested for two-body radiative capture reaction, ${^{16}{\rm O}}(\alpha,\gamma){^{20}{\rm Ne}}$, showing that it gives identical results to that calculated by the ordinary procedure. The new method will be suited for calculation of triple-alpha radiative capture rate for which an explicit construction of the scattering solution is difficult.Comment: 8 pages, 7 figure

A HYBRID METHOD FOR STIFF REACTION-DIFFUSION EQUATIONS.

The second-order implicit integration factor method (IIF2) is effective at solving stiff reaction-diffusion equations owing to its nice stability condition. IIF has previously been applied primarily to systems in which the reaction contained no explicitly time-dependent terms and the boundary conditions were homogeneous. If applied to a system with explicitly time-dependent reaction terms, we find that IIF2 requires prohibitively small time-steps, that are relative to the square of spatial grid sizes, to attain its theoretical second-order temporal accuracy. Although the second-order implicit exponential time differencing (iETD2) method can accurately handle explicitly time-dependent reactions, it is more computationally expensive than IIF2. In this paper, we develop a hybrid approach that combines the advantages of both methods, applying IIF2 to reaction terms that are not explicitly time-dependent and applying iETD2 to those which are. The second-order hybrid IIF-ETD method (hIFE2) inherits the lower complexity of IIF2 and the ability to remain second-order accurate in time for large time-steps from iETD2. Also, it inherits the unconditional stability from IIF2 and iETD2 methods for dealing with the stiffness in reaction-diffusion systems. Through a transformation, hIFE2 can handle nonhomogeneous boundary conditions accurately and efficiently. In addition, this approach can be naturally combined with the compact and array representations of IIF and ETD for systems in higher spatial dimensions. Various numerical simulations containing linear and nonlinear reactions are presented to demonstrate the superior stability, accuracy, and efficiency of the new hIFE method

Similarity solutions of Reaction-Diffusion equation with space- and time-dependent diffusion and reaction terms

We consider solvability of the generalized reaction-diffusion equation with both space- and time-dependent diffusion and reaction terms by means of the similarity method. By introducing the similarity variable, the reaction-diffusion equation is reduced to an ordinary differential equation. Matching the resulting ordinary differential equation with known exactly solvable equations, one can obtain corresponding exactly solvable reaction-diffusion systems. Several representative examples of exactly solvable reaction-diffusion equations are presented.Comment: 11 pages, 4 figure