纳米粒子/共聚物混合体系结构的Monte Carlo模拟

doi:10.3866/PKU.WHXB201111211

Abstract

Abstract: The structures of a nanoparticle/copolymer mixed system were studied using lattice dynamic Monte Carlo simulations. Each copolymer chain consisted of one A bead and three B beads, and the amphiphilic property of the A₁B₃ chains was represented by an attraction between B-B beads. Nanoparticles were hydrophobic with an attraction amongst themselves. By properly choosing the attraction between the nanoparticle and the B beads, we observe two interesting structures: a nanoparticle/ A₁B₃ chain core-shell structure and an A₁B₃ vesicle with nanoparticles dispersed in the hydrophobic shell. The evolutions of these two structures were investigated. Our results show that the A₁B₃ vesicle acts as a template for the formation of the nanoparticle-dispersed vesicle.

Key words: Dynamic Monte Carlo simulation, Copolymer, Nanoparticle, Vesicle

MSC2000:

O641

LIU Guan-Feng, HUANG Jian-Hua. Monte Carlo Simulation on the Structures of a Nanoparticle/ Copolymer Mixed System[J].Acta Phys. -Chim. Sin., 2012, 28(02): 309-314.

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Monte Carlo Simulation on the Structures of a Nanoparticle/ Copolymer Mixed System

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