Related Experiment Video
Updated: Aug 7, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Constrained Langevin approximation for the Togashi-Kaneko model of autocatalytic reactions
Wai-Tong Louis Fan1, Yifan Johnny Yang1, Chaojie Yuan1
1Department of Mathematics, Indiana University, Bloomington, IN 47405, USA.
Abstract:
The Togashi Kaneko model (TK model) is a simple stochastic reaction network that displays discreteness-induced transitions between meta-stable patterns. Here we study a constrained Langevin approximation (CLA) of this model. This CLA, derived under the classical scaling, is an obliquely reflected diffusion process on the positive orthant and hence respects the constraint that chemical concentrations are never negative. We show that the CLA is a Feller process, is positive Harris recurrent and converges exponentially fast to the unique stationary distribution. We also characterize the stationary distribution and show that it has finite moments. In addition, we simulate both the TK model and its CLA in various dimensions. For example, we describe how the TK model switches between meta-stable patterns in dimension six. Our simulations suggest that, when the volume of the vessel in which all of the reactions that take place is large, the CLA is a good approximation of the TK model in terms of both the stationary distribution and the transition times between patterns.
More Related Videos
Related Concept Videos
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation
On...
The Small x Assumption
Thermal Sigmatropic Reactions: Overview
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
Multi-Step Reactions
Linear Approximation in Frequency Domain
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
Homogeneous Equilibria for Gaseous Reactions
For gas-phase reactions, the equilibrium constant may be expressed in terms of either the molar concentrations (Kc) or partial pressures (Kp) of the reactants and products. A relation between these two K values may be simply derived from the ideal gas equation and the definition of molarity. According to the ideal gas equation:

