三嵌段共聚物和两嵌段共聚物在水溶液中共混自组装成多室胶束结构的耗散粒子动力学模拟

引用本文: 徐博深, 赵英, 沈显良, 丛悦, 殷秀梅, 王新鹏, 苑青, 于乃森, 董斌. 三嵌段共聚物和两嵌段共聚物在水溶液中共混自组装成多室胶束结构的耗散粒子动力学模拟[J]. 物理化学学报, 2014, 30(4): 646-653. doi: 10.3866/PKU.WHXB201402122 shu

Citation: XU Bo-Shen, ZHAO Ying, SHEN Xian-Liang, CONG Yue, YIN Xiu-Mei, WANG Xin-Peng, YUAN Qing, YU Nai-Sen, DONG Bin. Dissipative Particle Dynamics Simulation of Multicompartment Micelles Self-Assembled from a Blend of Triblock Copolymers and Diblock Copolymers in an Aqueous Solution[J]. Acta Physico-Chimica Sinica, 2014, 30(4): 646-653. doi: 10.3866/PKU.WHXB201402122 shu

三嵌段共聚物和两嵌段共聚物在水溶液中共混自组装成多室胶束结构的耗散粒子动力学模拟

基金项目:
国家自然科学基金（21203179，11274057，51102036)

国家重点基础研究发展规划项目（973）（2012CB626801)

中央高校自主研究基金（DC13010219.B)

辽宁省科学技术项目（2012222009）资助

摘要:

利用耗散粒子动力学模拟研究了在水溶液中混合不同的线形三嵌段共聚物A_xB_yC_z和线形两嵌段共聚物A_mB_n对多室胶束的形貌多样性的影响. 通过改变线形的三嵌段共聚物和两嵌段共聚物的链长来寻找多室胶束的形成条件. 由线形三嵌段共聚物和线形两嵌段共聚物的不同混合形成的多室胶束结构是多种多样的，例如“蠕虫状”胶束、“汉堡包”胶束、“球上球”胶束、“核-壳-壳”胶束等等. 多室胶束的整体形貌和内部结构的控制都可以从线形三嵌段共聚物和两嵌段共聚物的二元共混得到. 为了表征获得的多室胶束结构，我们计算了密度图和成对分布函数图. 在此工作中，可以获得和观察到复杂的多室胶束. 结果表明，简单地混合线形的三嵌段共聚物和线形的两嵌段共聚物是一个控制多室胶束形貌和结构的有效方法，在工程实验中可以更简单更经济地形成多室胶束结构. 因此，在设计新的多室胶束方面，聚合物共混仍然是未来值得更加关注的一个话题.

关键词:

English

Dissipative Particle Dynamics Simulation of Multicompartment Micelles Self-Assembled from a Blend of Triblock Copolymers and Diblock Copolymers in an Aqueous Solution

1.
Institute of Nano-Photonics, School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600, Liaoning Province, P. R. China
Received Date: 02 December 2013
Available Online: 31 March 2014
Fund Project:
国家自然科学基金（21203179，11274057，51102036)

国家重点基础研究发展规划项目（973）（2012CB626801)

中央高校自主研究基金（DC13010219.B)

辽宁省科学技术项目（2012222009）资助

Abstract:

A dissipative particle dynamics simulation was performed to study the influence of blending different linear triblock copolymers A_xB_yC_z and linear diblock copolymers A_mB_n in an aqueous solution on the morphology diversity of the formed multicompartment micelles. The chain lengths of the linear triblock copolymers and diblock copolymers were varied to find the conditions of the formation of multicompartment micelles. The multicompartment micelle morphologies formed by the different blends of linear triblock copolymer and linear diblock copolymer are various, such as "worm-like" micelles, "hamburger" micelles, "sphere on sphere" micelles, and "core-shell-corona" micelles etc. Controlling the overall morphology and inner structure of the multicompartment micelles was possible using binary blends of a linear triblock copolymer and a diblock copolymer. The density profiles and the pair distribution function were calculated to characterize the structures of the obtained multicompartment micelles. In this work, by blending a linear triblock copolymer and a linear diblock copolymer, complex multicompartment micelles were prepared and characterized. This work shows that simply blending linear triblock copolymers and linear diblock copolymers is an effective way to control the morphology and structure of multicompartment micelles. This is more economical and easy to form multicompartment micelles in the engineering experiments. Therefore, the blending of copolymers should be given more attention in future for the design of new multicompartment micelles.

Key words:

Dissipative particle dynamics simulation
/ Multicompartment micelles
/ Block copolymer
/ Morphology

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

三嵌段共聚物和两嵌段共聚物在水溶液中共混自组装成多室胶束结构的耗散粒子动力学模拟

English

Dissipative Particle Dynamics Simulation of Multicompartment Micelles Self-Assembled from a Blend of Triblock Copolymers and Diblock Copolymers in an Aqueous Solution

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

三嵌段共聚物和两嵌段共聚物在水溶液中共混自组装成多室胶束结构的耗散粒子动力学模拟

English

Dissipative Particle Dynamics Simulation of Multicompartment Micelles Self-Assembled from a Blend of Triblock Copolymers and Diblock Copolymers in an Aqueous Solution

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs