Curvature modulates the self-assembly of amphiphilic molecules.
In this work, we used lattice Monte Carlo simulations and theoretical model calculations to show how the self-assembly of adsorbed amphiphilic molecules is affected by the local curvature of solid surfaces. It is found that, beyond a critical curvature value, solid surface geometry governs the spatial ordering of aggregates and may induce the morphological transitions. The simulation results show how the curvature of solid surfaces modulates the distribution of aggregates: the anisotropy in local curvature along and perpendicular to the cylindrical surfaces tends to generate orientationally ordered cylindrical micelles. To account for the morphological transitions induced by the local curvature of solid surfaces, we constructed a theoretical model which includes the Helfrich bending energy, the deformation energy of aggregates induced by solid surfaces, and the adsorption energy. The model calculations indicate that on highly curved solid surfaces the bending energy for bilayer structure sharply increases with surface curvature, which in turn induces the morphological transition from bilayer to cylindrical structure. Our results suggest that the local curvature provides a means of controlling the spatial organization of amphiphilic molecules.
Division of Molecular and Materials Simulation, Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, China.
Falin
F
Tian
Yu
Y
Luo
Xianren
X
Zhang
D000327:Adsorption; D003198:Computer Simulation; D007477:Ions; D008823:Micelles; D008956:Models, Chemical; D009010:Monte Carlo Method; D017433:Protein Structure, Secondary; D013501:Surface-Active Agents / Q000737:chemistry*
D007477:Ions; D008823:Micelles; D013501:Surface-Active Agents