We formulate a simple effective model to describe molecular interactions in a lipid monolayer. The model represents lipid molecules in terms of two-dimensional anisotropic particles on the plane of the monolayer. These particles interact through forces that are believed to be relevant for the understanding of fundamental properties of the monolayer: van der Waals interactions originating from lipid chain interaction, and dipolar forces between the dipole groups of the molecular heads. Thermodynamic and phase behaviour properties of the model are explored using density-functional theory. Interfacial properties, such as the line tension and the structure of the region between ordered and disordered coexisting regions, are also calculated. The line tension turns out to be highly anisotropic, mainly as a result of the lipid chain tilt, and to a lesser extent of dipolar interactions perpendicular to the monolayer. The role of the two dipolar components, parallel and perpendicular to the monolayer, is assessed by comparing with computer simulation results for lipid monolayers.
تحميل البحث