Dissipative particle dynamics simulation study on complex structure transitions of vesicles formed by comb-like block copolymers
Dissipative particle dynamics simulation study on complex structure transitions of vesicles formed by comb-like block copolymers
复制标题
梳状嵌段共聚物形成囊泡复杂结构转变的耗散粒子动力学模拟研究
DOI：
10.1016/j.polymer.2011.02.045
复制
发表时间：
2011-04
期刊：
影响因子：
4.6
通讯作者：
Zhong-Yuan Lu
中科院分区：
文献类型：
--
作者：
Hong Wang;Ying-Tao Liu;Hu-Jun Qian;Zhong-Yuan Lu
囊泡是可以储存或运输物质的膜包裹的胶囊。它们的结构和相应的结构转变对于实现特定功能非常重要。利用耗散粒子动力学方法，我们研究了A6(B2)3型梳状嵌段共聚物自发形成的囊泡的复杂结构转变。在模拟中，调整不同组分之间的相互作用参数以模拟嵌段共聚物的两亲性的变化和溶剂的选择性，这在实验上可通过例如温度骤冷来处理。本研究发现了复杂的囊泡结构；使用这种动态模拟方法详细研究了它们的转变，例如裂变和反转。我们发现线张力对囊泡裂变途径起着决定性作用。此外，由于溶剂选择性的变化，当发生囊泡逆转时，管状囊泡倾向于转变为特殊的层状胶束结构，而洋葱状囊泡则倾向于转变为逆转洋葱状囊泡。
Vesicles are membrane-enclosed capsules that can store or transport substances. Their structures and the corresponding structural transitions are important to fulfill specific functions. Using dissipative particle dynamics method, we study the complex structure transitions of vesicles that are spontaneously formed by A6(B2)3type comb-like block copolymers. In the simulations, the interaction parameters between different components are tuned to mimic the variations of amphiphilicity of the block copolymers and the selectivity of the solvent which are experimentally tractable by, for example, a temperature quench. Complex vesicle structures are found in this research; their transitions, such as fission and reversal, are studied in detail with this dynamic simulation method. We find that the line tension plays a decisive role on the vesicle fission pathways. Moreover, the tube-like vesicles tend to transform to a special layered micelle structure, whereas the onion-shape vesicles tend to transform to reverse onion-shape vesicles when vesicle reversal takes place due to the variation of solvent selectivity.
登录
查看更多内容
DOI：
10.1021/jp068277u
发表时间：
2007-04
期刊：
The journal of physical chemistry. B
影响因子：
--
作者：
A. J. Markvoort;A. F. Smeijers;K. Pieterse;R. V. Santen;Paj Peter Hilbers
通讯作者：
A. J. Markvoort;A. F. Smeijers;K. Pieterse;R. V. Santen;Paj Peter Hilbers
DOI：
10.1063/1.3431203
发表时间：
2010-05
期刊：
The Journal of chemical physics
影响因子：
--
作者：
P. He;Xuejin Li;Dazhi Kou;M. Deng;Haojun Liang
通讯作者：
P. He;Xuejin Li;Dazhi Kou;M. Deng;Haojun Liang
影响因子：
3.3
作者：
Hong, Bingbing;Qiu, Feng;Yang, Yuliang
通讯作者：
Yang, Yuliang
影响因子：
4.6
作者：
Min Li;Guoliang Li;Zhiguo Zhang;Jun Li;K. Neoh;E. Kang
通讯作者：
Min Li;Guoliang Li;Zhiguo Zhang;Jun Li;K. Neoh;E. Kang
影响因子：
3.3
作者：
Liu, Ying-Tao;Zhao, Ying;Lu, Zhong-Yuan
通讯作者：
Lu, Zhong-Yuan