title: Aris-Taylor dispersion in tubes with dead ends.
abstract: This paper deals with transport of point Brownian particles in a cylindrical tube with dead ends in the presence of laminar flow of viscous fluid in the cylindrical part of the tube (Poiseuille flow). It is assumed that the dead ends are identical and are formed by spherical cavities connected to the cylindrical part of the tube by narrow necks. The focus is on the effective velocity and diffusivity of the particles as functions of the mean flow velocity and geometric parameter of the tube. Entering a dead end, the particle interrupts its propagation along the tube axis. Later it returns, and the axial motion continues. From the axial propagation point of view, the particle entry into a dead end and its successive return to the flow is equivalent to the particle reversible binding to the tube wall. The effect of reversible binding on the transport parameters has been previously studied assuming that the particle survival probability in the bound state decays as a single exponential. However, this is not the case when the particle enters a dead end, since escape from the dead end is a non-Markovian process. Our analysis of the problem consists of two steps: First, we derive expressions for the effective transport parameters in the general case of non-Markovian binding. Second, we find the effective velocity and diffusivity by substituting into these expressions known results for the moments of the particle lifetime in the dead end [L. Dagdug, A. M. Berezhkovskii, Yu. A. Makhnovskii, and V. Yu. Zitserman, J. Chem. Phys. 127, 224712 (2007)]. To check the accuracy of our theory, we compare its predictions with the values of the effective velocity and diffusivity obtained from Brownian dynamics simulations. The comparison shows excellent agreement between the theoretical predictions and numerical results.
authors.affiliation: Physics Department, Universidad Autonoma Metropolitana-Iztapalapa, 09340 Mexico DF, Mexico.
authors.forename: Leonardo
authors.initials: L
authors.lastname: Dagdug
authors.affiliation: Mathematical and Statistical Computing Laboratory, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892, USA.
authors.forename: Alexander M
authors.initials: AM
authors.lastname: Berezhkovskii
authors.affiliation: Maritime Division, Defence Science and Technology Organisation, Fishermans Bend, Vic 3207, Australia.
authors.forename: Alexei T
authors.initials: AT
authors.lastname: Skvortsov
mesh_terms: D004058:Diffusion; D007700:Kinetics; D015416:Maillard Reaction; D008956:Models, Chemical; D056004:Molecular Dynamics Simulation; D011336:Probability