Spontaneous fusion between the vesicles formed by A2n(B2)n type comb-like block copolymers with a semiflexible hydrophobic backbone.
The spontaneous vesicle formation and fusion of A(2n)(B(2))(n) (n = 2-10) type comb-like block copolymers with semiflexible hydrophobic backbone are studied via dissipative particle dynamics (DPD) simulations. By systemically varying the solvent condition, we construct a phase diagram to indicate the thermodynamically stable region for vesicles. The spontaneous fusion between the vesicles is studied, whose mechanism is as follows: first, a stalk is formed between the vesicles; then, the holes appear in both vesicles near the feet of the stalk; finally, the stalk bends to circle the holes and the fusion process is completed. This fusion pathway is similar to that observed in Monte Carlo simulations and dynamic self-consistent filed theory but different from those reported in coarse-grained molecular dynamics and DPD simulations. The main reason for the difference may be attributed to the molecular structures used in different simulation techniques.
Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China.
Ying-Tao
YT
Liu
Ying
Y
Zhao
Hong
H
Liu
Yu-Hua
YH
Liu
Zhong-Yuan
ZY
Lu
D057927:Hydrophobic and Hydrophilic Interactions; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry*; D013816:Thermodynamics
D011108:Polymers