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Balter, Ariel I.

Publications and source records attributed to Balter, Ariel I..

Effect of Spatial Concentration Fluctuations on Effective Kinetics in Diffusion-Reaction Systems

The effect of spatial concentration fluctuations on reaction of two solutes, A+B$\rightarrow$C, is considered. In the absence of fluctuations, concentration of solutes decays as $A_{det}=B_{det} \sim t^{-1}$. Contrary to this, experimental and numerical studies suggest that concentrations decay significantly slower. Existing theory suggests $t^{-d/4}$ scaling in the asymptotic regime ($d$ is the dimensionality of the problem). Here we study the effect of fluctuations using the classical diffusion-reaction equation with random initial conditions. Initial concentrations of the reactants are treated as correlated random fields. We use the method of moment equations to solve the resulting stochastic diffusion-reaction equation and obtain a solution for the average concentrations that deviates from $\sim t^{-1}$ to $\sim t^{-d/4}$ behavior at time $t^*$. Finally, we derive analytical expressions for the time $t^*$ as a function of Damk\"{o}hler number and the coefficient of variation of the initial concentration. Our analytical results support earlier explanations of the deviation of average concentrations from $A_{det}=B_{det} \sim t^{-1}$ behavior, which attributed this change of scaling to the creation of isolated {\it islands} of A and B.

uncertainty quantification, stochastic differentia↗

Multinomial diffusion equation

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.

Environmental Molecular Sciences Laboratory↗