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arXiv · 2208.14122

Capturing membrane structure and function in lattice Boltzmann models

James E. McClure·Zhe Li
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Abstract

We develop a mesoscopic approach to model the non-equilibrium 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 hyper-polarization 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.

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James E. McClure, Zhe Li. 2022-08-30. Capturing membrane structure and function in lattice Boltzmann models. https://doi.org/10.1103/physreve.107.024408

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