报告题目：Modeling and analysis on ion transport in nanoconfinements

报告人：张莉维上海交通大学

报告时间：7月10日（星期五）上午9:30 --10:30

报告地点：正新楼105

校内联系人：黎文磊 [email protected]

报告摘要：

    This report focuses on the progress in modeling nanoscale ion transport using the Poisson-Nernst-Planck (PNP) framework. To overcome the limitations of classical mean-field PNP models in capturing many-body and excluded volume effects, researchers have developed a modified PNP model. By incorporating long-range Coulomb correlations and short-range hard-sphere steric interactions, this model accurately predicts ionic density oscillations and depletion zones near highly charged dielectric interfaces. Concurrently, through a geometric singular perturbation analysis of a quasi-one-dimensional classical steady-state PNP model, research has revealed the structural impact of large permanent charges within the channel on 1:1 ionic flows, demonstrating that large permanent charges induce flux and current saturation at high transmembrane electric potentials. Furthermore, large permanent charges not only consistently inhibit co-ion flux, but also exert varying effects on counter-ion flux depending on channel geometry and boundary conditions, thereby providing a theoretical mechanism for the counterintuitive "declining phenomenon". In conclusion, accurately modeling complex ion-ion correlations and large permanent charges within the channel is crucial for a profound understanding of the physical properties and internal dynamics of biological and synthetic ion channels.