Asymptotics of Reaction-Diffusion Fronts with One Static and One Diffusing Reactant

The long-time behavior of a reaction-diffusion front between one static (e.g. porous solid) reactant A and one initially separated diffusing reactant B is analyzed for the mean-field reaction-rate density R(\rho_A,\rho_B) = k\rho_A^m\rho_B^n. A uniformly valid asymptotic approximation is constructed from matched self-similar solutions in a reaction front (of width w \sim t^\alpha where R \sim t^\beta enters the dominant balance) and a diffusion layer (of width W \sim t^{1/2} where R is negligible). The limiting solution exists if and only if m, n \geq 1, in which case the scaling exponents are uniquely given by \alpha = (m-1)/2(m+1) and \beta = m/(m+1). In the diffusion layer, the common ad hoc approximation of neglecting reactions is given mathematical justification, and the exact transient decay of the reaction rate is derived. The physical effects of higher-order kinetics (m, n > 1), such as the broadening of the reaction front and the slowing of transients, are also discussed.Comment: final version, new title & combustion reference

The asymptotic behaviour of the initially separated A + B(static) -> 0 reaction-diffusion systems

We examine the long-time behaviour of A+B \to 0 reaction-diffusion systems with initially separated species A and B. All of our analysis is carried out for arbitrary (positive) values of the diffusion constant D_A of particles A and initial concentrations a_0 and b_0 of A's and B's. We derive general formulae for the location of the reaction zone centre, the total reaction rate, and the concentration profile of species A outside the reaction zone. The general properties of the reaction zone are studied with a help of the scaling ansatz. Using the mean-field approximation we find the functional forms of `tails' of the reaction rate R and the dependence of the width of the reaction zone on the external parameters of the system. We also study the change in the kinetics of the system with D_B > 0 in the limit D_B \to 0. Our results are supported by numerical solutions of the mean-field reaction-diffusion equation.Comment: LaTeX, 16 pages, 3 EPS figures. Uses: elsart.sty, elsart12.sty, epsf.st

Trapping with biased diffusion species

We analyze a trapping reaction with a single penetrable trap, in a one dimensional lattice, where both species (particles and trap) are mobile and have a drift velocity. We obtain the density as seen from a reference system attached to the trap and from the laboratory frame. In addition we study the nearest neighbor distance to the trap. We exploit a stochastic model previously developed, and compare the results with numerical simulations, resulting in an excellent agreement.Comment: 6 pages, 7 Postscript figure

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

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

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

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

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

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

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