Lattice boltzmann method to simulate three-dimensional ion channel flow using fourth order poisson-nernst-planck-bikerman model
Journal
Physics of Fluids
Journal Volume
33
Journal Issue
8
Date Issued
2021
Author(s)
Abstract
Over the past three decades, the lattice Boltzmann method (LBM) has been applied to a vast range of hydrodynamic and non-hydrodynamic (e.g., ion transport) systems. In conjunction with the immersed boundary method (IBM), the LBM has been successfully implemented to solve systems with complex geometries. In this study, the immersed boundary-lattice Boltzmann method (IB-LBM) is implemented to simulate nanoscale ion transport. Traditionally, ion transport is described through the Poisson-Nernst-Planck (PNP) equations where ionic interactions are included. In the current paper, the fourth order Poisson-Nernst-Planck-Bikerman (4PNPBik) model has been used. In addition to ionic interactions, the 4PNPBik model includes the effects of the finite size of particles (ions and water) and interactions between ions and its surrounding medium. Applicability of the 4PNPBik model is demonstrated through comparison of the experimental and predicted ion activity. Implementation of the 4PNPBik model has been validated by comparing the predicted current-voltage curve with the analytical result. The transient receptor potential (TRP) ion channel of the vanilloid group (TRPV4) is used to demonstrate the applicability of this approach. The TRPV4 is a nonselective cation channel that prefers divalent cationic species over monovalent cations. In this study, this selectivity is demonstrated by comparing the concentration profiles of calcium, sodium, and chloride ions. Further, the role of the finite size of particles and nonlocal electrostatics is discussed by comparing the results obtained from the PNP and 4PNPBik models under identical initial and boundary conditions. ? 2021 Author(s).
Subjects
Chlorine compounds
Current voltage characteristics
Hydrodynamics
Positive ions
Sodium compounds
Turbulent flow
Concentration profiles
Immersed boundary methods
Initial and boundary conditions
Lattice Boltzmann method
Lattice boltzmann methods (LBM)
Non-selective cation channels
Poisson-Nernst-Planck equations
Transient receptor potentials
Kinetic theory
Type
journal article