Method for the Monte Carlo based Simulation of Lipid-Monolayers including Lipid Movement

Abstract: A two-state-model consisting of hexagonally connected lipids being either in the ordered or disordered state is used to set up a Monte Carlo Simulation for lipid monolayers. The connection of the lipids is realized by Newtonian springs emulating the surfaces elasticity and allowing for the calculation of translational movement of the lipids, whereas all necessary simulation parameters follow from experiments. Simulated monolayer isotherms can be directly compared to measured ones concurrently allowing the calculation of the experimentally hardly accessible monolayer heat capacity.