Ion vacancies and transport in 1-methylimidazolium triflate organic ionic plastic crystal

H Zhu, M Forsyth - The Journal of Physical Chemistry Letters, 2020 - ACS Publications
Organic ionic plastic crystals (OIPCs) are an important family of materials that have shown
exciting possibilities as solid electrolytes for lithium ion batteries and other electrochemical …

Investigating ion transport inside the pentameric ion channel encoded in COVID-19 E protein

K Saurabh, M Solovchuk, TWH Sheu - Physical Review E, 2020 - APS
Ion flow inside an ion channel can be described through continuum based Born-Poisson-
Nernst-Planck (BPNP) equations in conjunction with the Lennard-Jones potential. Kee** …

Transient Coatings from Nanoparticles Achieving Broad-Spectrum and High Antimicrobial Performance

R Zaia, GM Quinto, LCS Camargo, RT Ribeiro… - Pharmaceuticals, 2023 - mdpi.com
Cationic and hydrophilic coatings based on casting and drying water dispersions of two
different nanoparticles (NPs) onto glass are here described and evaluated for antimicrobial …

Lattice Boltzmann method to simulate three-dimensional ion channel flow using fourth order Poisson–Nernst–Planck–Bikerman model

K Saurabh, MA Solovchuk, TWH Sheu - Physics of Fluids, 2021 - pubs.aip.org
Over the past three decades, the lattice Boltzmann method (LBM) has been applied to a vast
range of hydrodynamic and non-hydrodynamic (eg, ion transport) systems. In conjunction …

Characterization and Differential Cytotoxicity of Gramicidin Nanoparticles Combined with Cationic Polymer or Lipid Bilayer

Y Pérez-Betancourt, R Zaia, MF Evangelista… - Pharmaceutics, 2022 - mdpi.com
Gramicidin (Gr) nanoparticles (NPs) and poly (diallyl dimethyl ammonium) chloride (PDDA)
water dispersions were characterized and evaluated against Gram-positive and Gram …

Unconditional positivity-preserving and energy stable schemes for a reduced Poisson-Nernst-Planck system

H Liu, W Maimaitiyiming - arxiv preprint arxiv:1909.13161, 2019 - arxiv.org
The Poisson-Nernst-Planck (PNP) system is a widely accepted model for simulation of ionic
channels. In this paper, we design, analyze, and numerically validate a second order …

[HTML][HTML] Mathematical and computational modeling of electrohydrodynamics through a nanochannel

K Saurabh, M Solovchuk - AIP Advances, 2023 - pubs.aip.org
Fluid-ion transport through a nanochannel is studied to understand the role and impact of
different physical phenomena and medium properties on the flow. Mathematically, the …

[HTML][HTML] Mathematical studies of Poisson–Nernst–Planck model for membrane channels: finite ion size effects without electroneutrality boundary conditions

R Aitbayev, PW Bates, H Lu, L Zhang… - Journal of Computational …, 2019 - Elsevier
We study a quasi-one-dimensional steady-state Poisson–Nernst–Planck model with a local
hard-sphere potential for ionic flows of two oppositely charged ion species through a …

Solution of Ion Channel Flow Using Immersed Boundary–Lattice Boltzmann Methods

K Saurabh, M Solovchuk, TWH Sheu - Journal of Computational …, 2020 - liebertpub.com
Poisson–Nernst–Planck (PNP) model has been extensively used for the study of channel
flow under the influence of electrochemical gradients. PNP theory is a continuum description …

Solutions of Poisson-Nernst Planck Equations with Ion Interaction

AM Gwecho, W Shu, OT Mboya… - Applied …, 2022 - repository.journal4submission.com
This paper develops a mixed Finite Element Method (mFEM) based on both classical
rectangular elements (with equal nodal points for all degrees of freedom) and Taylor-hood …