https://scholars.lib.ntu.edu.tw/handle/123456789/598325
標題: | Lattice boltzmann method to simulate three-dimensional ion channel flow using fourth order poisson-nernst-planck-bikerman model | 作者: | Saurabh K Solovchuk M.A Sheu T.W.-H. TONY W. H. SHEU |
關鍵字: | 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 | 公開日期: | 2021 | 卷: | 33 | 期: | 8 | 來源出版物: | Physics of Fluids | 摘要: | 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). |
URI: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85113378409&doi=10.1063%2f5.0062512&partnerID=40&md5=0ab15293750d8e41c2c85d24af52da09 https://scholars.lib.ntu.edu.tw/handle/123456789/598325 |
ISSN: | 10706631 | DOI: | 10.1063/5.0062512 |
顯示於: | 工程科學及海洋工程學系 |
在 IR 系統中的文件,除了特別指名其著作權條款之外,均受到著作權保護,並且保留所有的權利。