Electrolyte Solution at Zwitterionic Lipid Layer

Authors

  • Jurij Reščič University of Ljubljana, Faculty of Chemistry and Chemical Technology
  • Klemen Bohinc Faculty of Health Sciences, University of Ljubljana, Ljubljana, Slovenia

DOI:

https://doi.org/10.17344/acsi.2015.1561

Keywords:

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

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.

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Published

22.07.2015

Issue

Vol. 62 No. 3 (2015)

Section

Physical chemistry

License

Except where otherwise noted, articles in this journal are published under the Creative Commons Attribution 4.0 International License