Electrolyte Solution at Zwitterionic Lipid Layer

Abstract

A coarse-grained model of simple 1:-1 aqueous electrolyte solution in contact with a zwitterionic lipid layer in continuum solvent is studied by canonical Monte Carlo computer simulations and extended Poisson-Boltzmann theory. A structure of zwitterionic layer as well as concentration profiles of positively and negatively charged monovalent ions were obtained from simulations and compared to theoretical predictions. A relatively good agreement between the Monte Carlo computer simulations and theory was observed.

Keywords

• Poisson-Boltzmann
• zwitterion lipid layer
• Monte Carlo simulation
• rod-like ion