Refined Simulations of the Reaction Front for Diffusion-Limited Two-Species Annihilation in One Dimension

Extensive simulations are performed of the diffusion-limited reaction A$+$B$\to 0$ in one dimension, with initially separated reagents. The reaction rate profile, and the probability distributions of the separation and midpoint of the nearest-neighbour pair of A and B particles, are all shown to exhibit dynamic scaling, independently of the presence of fluctuations in the initial state and of an exclusion principle in the model. The data is consistent with all lengthscales behaving as $t^{1/4}$ as $t\to\infty$. Evidence of multiscaling, found by other authors, is discussed in the light of these findings.Comment: Resubmitted as TeX rather than Postscript file. RevTeX version 3.0, 10 pages with 16 Encapsulated Postscript figures (need epsf). University of Geneva preprint UGVA/DPT 1994/10-85

Decay Process for Three - Species Reaction - Diffusion System

We propose the deterministic rate equation of three-species in the reaction - diffusion system. For this case, our purpose is to carry out the decay process in our three-species reaction-diffusion model of the form $A+B+C\to D$. The particle density and the global reaction rate are also shown analytically and numerically on a two-dimensional square lattice with the periodic boundary conditions. Especially, the crossover of the global reaction rate is discussed in both early-time and long-time regimes.Comment: 6 pages, 3 figures, Late

Finite-Size Scaling Studies of Reaction-Diffusion Systems Part III: Numerical Methods

The scaling exponent and scaling function for the 1D single species coagulation model $(A+A\rightarrow A)$ are shown to be universal, i.e. they are not influenced by the value of the coagulation rate. They are independent of the initial conditions as well. Two different numerical methods are used to compute the scaling properties: Monte Carlo simulations and extrapolations of exact finite lattice data. These methods are tested in a case where analytical results are available. It is shown that Monte Carlo simulations can be used to compute even the correction terms. To obtain reliable results from finite-size extrapolations exact numerical data for lattices up to ten sites are sufficient.Comment: 19 pages, LaTeX, 5 figures uuencoded, BONN HE-94-0

Reaction Front in an A+B -> C Reaction-Subdiffusion Process

We study the reaction front for the process A+B -> C in which the reagents move subdiffusively. Our theoretical description is based on a fractional reaction-subdiffusion equation in which both the motion and the reaction terms are affected by the subdiffusive character of the process. We design numerical simulations to check our theoretical results, describing the simulations in some detail because the rules necessarily differ in important respects from those used in diffusive processes. Comparisons between theory and simulations are on the whole favorable, with the most difficult quantities to capture being those that involve very small numbers of particles. In particular, we analyze the total number of product particles, the width of the depletion zone, the production profile of product and its width, as well as the reactant concentrations at the center of the reaction zone, all as a function of time. We also analyze the shape of the product profile as a function of time, in particular its unusual behavior at the center of the reaction zone

Diffusion-controlled annihilation A+B→0A + B \to 0 with initially separated reactants: The death of an AA particle island in the BB particle sea

We consider the diffusion-controlled annihilation dynamics $A+B\to 0$ with equal species diffusivities in the system where an island of particles $A$ is surrounded by the uniform sea of particles $B$. We show that once the initial number of particles in the island is large enough, then at any system's dimensionality $d$ the death of the majority of particles occurs in the {\it universal scaling regime} within which $\approx 4/5$ of the particles die at the island expansion stage and the remaining $\approx 1/5$ at the stage of its subsequent contraction. In the quasistatic approximation the scaling of the reaction zone has been obtained for the cases of mean-field ($d \geq d_{c}$) and fluctuation ($d < d_{c}$) dynamics of the front.Comment: 4 RevTex pages, 1 PNG figure and 1 EPS figur

Asymptotic expansion for reversible A + B <-> C reaction-diffusion process

We study long-time properties of reversible reaction-diffusion systems of type A + B C by means of perturbation expansion in powers of 1/t (inverse of time). For the case of equal diffusion coefficients we present exact formulas for the asymptotic forms of reactant concentrations and a complete, recursive expression for an arbitrary term of the expansions. Taking an appropriate limit we show that by studying reversible reactions one can obtain "singular" solutions typical of irreversible reactions.Comment: 6 pages, no figures, to appear in PR

Reaction-diffusion dynamics: confrontation between theory and experiment in a microfluidic reactor

We confront, quantitatively, the theoretical description of the reaction-diffusion of a second order reaction to experiment. The reaction at work is \ca/CaGreen, and the reactor is a T-shaped microchannel, 10 $\mu$m deep, 200 $\mu$m wide, and 2 cm long. The experimental measurements are compared with the two-dimensional numerical simulation of the reaction-diffusion equations. We find good agreement between theory and experiment. From this study, one may propose a method of measurement of various quantities, such as the kinetic rate of the reaction, in conditions yet inaccessible to conventional methods

Behavior of the reaction front between initially segregated species in a two-stage reaction

The large-time asymptotic behavior of a two-stage reaction (A+B→R, B+R→S) with initially segregated reactants is described. The concentration of the reactants is found to be significantly less than the initial concentrations in a depletion zone of width proportional to t[sup. 1/2], where t is time; the reaction takes place in a thinner zone of width proportional to t[sup. 1/6]. Similarity solutions for the chemical concentration profiles in the reaction zone are calculated, and are compared with numerical simulations of the full partial differential reaction-diffusion equations. The large-time asymptotic scalings reported here are the same as in the absence of the secondary reaction, but we find that the location of the reaction zone is significantly shifted due to the secondary reaction. The reaction zone may behave in an exotic fashion at large time, moving first one way, then reversing its direction.Stephen M. Cox and Matthew D. Fin

Localization-delocalization transition of a reaction-diffusion front near a semipermeable wall

The A+B --> C reaction-diffusion process is studied in a system where the reagents are separated by a semipermeable wall. We use reaction-diffusion equations to describe the process and to derive a scaling description for the long-time behavior of the reaction front. Furthermore, we show that a critical localization-delocalization transition takes place as a control parameter which depends on the initial densities and on the diffusion constants is varied. The transition is between a reaction front of finite width that is localized at the wall and a front which is detached and moves away from the wall. At the critical point, the reaction front remains at the wall but its width diverges with time [as t^(1/6) in mean-field approximation].Comment: 7 pages, PS fil

The Reaction-Diffusion Front for A+B→∅A+B \to\emptyset in One Dimension

We study theoretically and numerically the steady state diffusion controlled reaction $A+B\rightarrow\emptyset$, where currents $J$ of $A$ and $B$ particles are applied at opposite boundaries. For a reaction rate $\lambda$, and equal diffusion constants $D$, we find that when $\lambda J^{-1/2} D^{-1/2}\ll 1$ the reaction front is well described by mean field theory. However, for $\lambda J^{-1/2} D^{-1/2}\gg 1$, the front acquires a Gaussian profile - a result of noise induced wandering of the reaction front center. We make a theoretical prediction for this profile which is in good agreement with simulation. Finally, we investigate the intrinsic (non-wandering) front width and find results consistent with scaling and field theoretic predictions.Comment: 11 pages, revtex, 4 separate PostScript figure