Chemical reaction dynamics within anisotropic solvents in time-dependent fields.
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.
Hershkovits
Eli
E
Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400, USA.
Hernandez
Rigoberto
R
D016880:Anisotropy; D003102:Colloids / Q000737:chemistry*; D003198:Computer Simulation; D007700:Kinetics; D008956:Models, Chemical; D008958:Models, Molecular; D010316:Particle Size; D012997:Solvents / Q000737:chemistry*; D013997:Time Factors
D003102:Colloids; D012997:Solvents