Chemical Reaction Dynamics within Anisotropic Solvents in Time-Dependent Fields

TL;DR

This paper models the reaction dynamics of Brownian particles in anisotropic solvents under time-dependent external fields, deriving analytical expressions for diffusion and reaction rates, and demonstrating control of product composition via field frequency.

Contribution

It introduces a stochastic Langevin equation-based model for reaction dynamics in anisotropic solvents with time-dependent fields, providing analytical solutions and control strategies.

Findings

Analytical expressions for diffusion and reaction rates agree with numerical results.

External field frequency can control product composition.

Reaction dynamics are influenced by the rotational motion of mesogens.

Abstract

The dynamics of low-dimensional Brownian particles coupled to time-dependent driven anisotropic heavy particles (mesogens) in a uniform bath (solvent) have been described through the use of a variant of the stochastic Langevin equation. The rotational motion of the mesogens is assumed to follow the motion of an external driving field in the linear response limit. Reaction dynamics have also been probed using a two-state model for the Brownian particles. Analytical expressions for diffusion and reaction rates have been developed and are found to be in good agreement with numerical calculations. When the external field driving the mesogens is held at constant rotational frequency, the model for reaction dynamics predicts that the applied field frequency can be used to control the product composition.