Chemical reaction dynamics within anisotropic solvents in time-dependent fields

Area of Science:

• Chemical Physics
• Statistical Mechanics
• Soft Matter Physics

Background:

• Investigating the behavior of Brownian particles and anisotropic mesogens in solution is crucial for understanding complex fluid dynamics.
• Coupling between Brownian motion and the rotational dynamics of mesogens influences system-level properties.
• Stochastic processes, like those described by the Langevin equation, are fundamental to modeling particle interactions in a bath.

Purpose of the Study:

• To develop a theoretical model for the dynamics of low-dimensional Brownian particles coupled to driven anisotropic heavy particles (mesogens).
• To analyze the reaction dynamics of these coupled systems using a two-state model.
• To explore the potential for controlling reaction outcomes via external fields.

Main Methods:

• Utilized a variant of the stochastic Langevin equation to describe particle dynamics.
• Assumed mesogen rotational motion follows an external driving field in the linear response limit.
• Employed a two-state model to probe reaction dynamics and derived analytical expressions for rates.

Main Results:

• Developed analytical expressions for diffusion and reaction rates that align well with numerical simulations.
• Demonstrated good agreement between theoretical predictions and computational results.
• Identified that controlling the rotational frequency of the external driving field influences product composition.

Conclusions:

• The developed model accurately captures the dynamics of coupled Brownian particles and mesogens.
• The study highlights the significant role of external driving fields in controlling chemical reactions.
• Field frequency emerges as a key parameter for tuning product selectivity in mesogen-driven reactions.