Influence of Charge Lipid Head Group Structures on Electric Double Layer Properties.

ABSTRACT: In this study we derived a model for a multicomponent lipid monolayer in contact with an aqueous solution by means of a generalized classical density functional theory and Monte Carlo simulations. Some of the important biological lipid systems were studied as monolayers composed of head groups with different shapes and charge distributions. Starting from the free energy of the system, which includes the electrostatic interactions, additional internal degrees of freedom are included as positional and orientational entropic contributions to the free energy functional. The calculus of variation was used to derive Euler-Lagrange equations, which were solved numerically by the finite element method. The theory and Monte Carlo simulations predict that there are mainly two distinct regions of the

SUBMITTER: Bohinc K 

PROVIDER: S-EPMC8757465 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature