Mesoscale simulation of the formation and dynamics of lipid-structured poly(ethylene oxide)-block-poly(methyl methacrylate) diblock copolymers

摘要: Twelve poly(ethylene oxide)-block-poly(methyl methacrylate) (PEO-b-PMMA) copolymers with lipid-like structures were designed and investigated by MesoDyn simulation. Spherical worm-like micelles as well bicontinuous, lamellar defected phases obtained. A special structure, designated B2412, two lipid connected their heads, was found to undergo four stages prior forming a spherical micelle phase. Two possible assembly mechanisms via thermodynamic dynamic process analyses; namely, the fusion fission of in equilibrium during adjustment stage. Water can be encapsulated into these micelles, which affect size, particularly low concentration aqueous solutions. The assignment weak negative charges hydrophilic EO blocks resulted clear effect on size. Surprisingly, largest observed −0.5 e, wherein an ordered perfect hexagonal phase formed. obtained results applied numerous fields study, including adsorption, catalysis, controlled release drug delivery.