title: Effect of wall-mediated hydrodynamic fluctuations on the kinetics of a Brownian nanoparticle.
abstract: The reactive flux formalism (Chandler 1978J. Chem. Phys.68, 2959-2970. (doi:10.1063/1.436049)) and the subsequent development of methods such as transition path sampling have laid the foundation for explicitly quantifying the rate process in terms of microscopic simulations. However, explicit methods to account for how the hydrodynamic correlations impact the transient reaction rate are missing in the colloidal literature. We show that the composite generalized Langevin equation (Yuet al.2015Phys. Rev. E91, 052303. (doi:10.1103/PhysRevE.91.052303)) makes a significant step towards solving the coupled processes of molecular reactions and hydrodynamic relaxation by examining how the wall-mediated hydrodynamic memory impacts the two-stage temporal relaxation of the reaction rate for a nanoparticle transition between two bound states in the bulk, near-wall and lubrication regimes.
authors.affiliation: Department of Chemical and Biomolecular Engineering , University of Pennsylvania , Philadelphia, PA 19104, USA.
authors.forename: Hsiu-Yu
authors.initials: HY
authors.lastname: Yu
authors.affiliation: Department of Anesthesiology and Critical Care, University of Pennsylvania, Philadelphia, PA 19104, USA; Department of Bioengineering, University of Pennsylvania, Philadelphia, PA 19104, USA.
authors.forename: David M
authors.initials: DM
authors.lastname: Eckmann
authors.affiliation: Department of Mechanical Engineering and Applied Mechanics , University of Pennsylvania , Philadelphia, PA 19104, USA.
authors.forename: Portonovo S
authors.initials: PS
authors.lastname: Ayyaswamy
authors.affiliation: Department of Chemical and Biomolecular Engineering, University of Pennsylvania, Philadelphia, PA 19104, USA; Department of Bioengineering, University of Pennsylvania, Philadelphia, PA 19104, USA.
authors.forename: Ravi
authors.identifier: 0000-0003-0686-2851
authors.initials: R
authors.lastname: Radhakrishnan
keywords: Brownian motion; colloid; generalized Langevin equation; hydrodynamics; reaction kinetics; stochastic simulations