Capturing membrane structure and function in lattice Boltzmann models

James E. Mcclure, Zhe Li

Research output: Contribution to journalArticlepeer-review

Abstract

We develop a mesoscopic approach to model the nonequilibrium behavior of membranes at the cellular scale. Relying on lattice Boltzmann methods, we develop a solution procedure to recover the Nernst-Planck equations and Gauss's law. A general closure rule is developed to describe mass transport across the membrane, which is able to account for protein-mediated diffusion based on a coarse-grained representation. We demonstrate that our model is able to recover the Goldman equation from first principles and show that hyperpolarization occurs when membrane charging dynamics are controlled by multiple relaxation timescales. The approach provides a promising way to characterize non-equilibrium behaviors that arise due to the role of membranes in mediating transport based on realistic three-dimensional cell geometries.

Original languageEnglish
Article number024408
JournalPhysical Review E
Volume107
Issue number2
DOIs
Publication statusPublished - Feb 2023

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