Dissipative Particle Dynamics Simulation of Self-Assembly of Phosphorylcholine-Containing Poly(L-lactide)

摘要

Using dissipative particle dynamics (DPD) approach, we study the self-assembly behaviors of phosphorylcholine-containing poly(L-lactide) (PLLA-PC-PLLA) at the microscopic level. Their evolution of aggregate morphologies and internal distribution are observed. Spherical, cylindrical and lamellar structures are obtained at various concentrations. Additionally, their self-assembly morphologies can also be regulated by the PLA chain length, and short PLA chains facilitate the formation of bilayer structure. Our simulation results agree very well with recent experiments and are consistent with theoretical observations of other kinds of phospholipids, which is useful for the future rational design of bio-inspired materials with tailored properties.