物理化学学报
物理化學學報
물이화학학보
ACTA PHYSICO-CHIMICA SINICA
2012年
2期
309-314
,共6页
动力学Monte Carlo模拟%共聚物%纳米粒子%囊泡
動力學Monte Carlo模擬%共聚物%納米粒子%囊泡
동역학Monte Carlo모의%공취물%납미입자%낭포
Dynamic Monte Carlo simulation%Copolymer%Nanoparticle%Vesicle
基于简立方格点模型,对纳米粒子/共聚物混合体系进行了动力学Monte Carlo模拟研究.每一共聚物链均由一个A珠子和三个B珠子组成,表示为A1B3.A1B3链的两亲性体现为B-B之间的相互吸引作用,同时憎水性的纳米粒子之间也存在相互吸引.通过适当选取纳米粒子与B珠子之间的吸引作用势,观察到两种结构:纳米粒子/A1B3链的核-壳结构和纳米粒子分散在憎水壳层中的A1B3囊泡结构.还研究了这两种结构的动力学演化过程,模拟结果表明在纳米粒子分散于囊泡壳层的过程中A1B3囊泡起模板作用.
基于簡立方格點模型,對納米粒子/共聚物混閤體繫進行瞭動力學Monte Carlo模擬研究.每一共聚物鏈均由一箇A珠子和三箇B珠子組成,錶示為A1B3.A1B3鏈的兩親性體現為B-B之間的相互吸引作用,同時憎水性的納米粒子之間也存在相互吸引.通過適噹選取納米粒子與B珠子之間的吸引作用勢,觀察到兩種結構:納米粒子/A1B3鏈的覈-殼結構和納米粒子分散在憎水殼層中的A1B3囊泡結構.還研究瞭這兩種結構的動力學縯化過程,模擬結果錶明在納米粒子分散于囊泡殼層的過程中A1B3囊泡起模闆作用.
기우간립방격점모형,대납미입자/공취물혼합체계진행료동역학Monte Carlo모의연구.매일공취물련균유일개A주자화삼개B주자조성,표시위A1B3.A1B3련적량친성체현위B-B지간적상호흡인작용,동시증수성적납미입자지간야존재상호흡인.통과괄당선취납미입자여B주자지간적흡인작용세,관찰도량충결구:납미입자/A1B3련적핵-각결구화납미입자분산재증수각층중적A1B3낭포결구.환연구료저량충결구적동역학연화과정,모의결과표명재납미입자분산우낭포각층적과정중A1B3낭포기모판작용.
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 A1 B3 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.
