物理化学学报 >> 2004, Vol. 20 >> Issue (08): 811-815.doi: 10.3866/PKU.WHXB20040806

研究论文 上一篇    下一篇

水溶液中嵌段共聚物的耗散颗粒动力学模拟

苑世领;吴锐;蔡政亭   

  1. 山东大学理论化学研究所, 济南 250100
  • 收稿日期:2003-12-01 修回日期:2004-03-09 发布日期:2004-08-15
  • 通讯作者: 蔡政亭 E-mail:shilingyuan@sdu.edu.cn

Dissipative Particle Dynamics Simulation on the Block Polymer in Aqueous Solution

Yuan Shi-Ling;Wu Rui;Cai Zheng-Ting   

  1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100
  • Received:2003-12-01 Revised:2004-03-09 Published:2004-08-15
  • Contact: Cai Zheng-Ting E-mail:shilingyuan@sdu.edu.cn

摘要: 用耗散颗粒动力学(dissipative particle dyanmics)模拟方法研究了Pluronic L64(PL64)和Pluronic 25R4(25R4)三嵌段共聚物水溶液中的介观相分离,模拟了聚合物聚集的动力学变化过程. 结果发现,在水溶液中,不同浓度的聚合物溶液表现出不同的介观结构,如分散相、球形胶束、双连续相(bicontinuous)等;而Pluronic L64在低浓度时更容易形成双连续相. 耗散颗粒动力学模拟可以作为实验的一个辅助,提供介观层次上的信息,对实验起到指导作用.

关键词: 耗散颗粒动力学模拟, 介观模拟, 嵌段共聚物

Abstract: The mesoscopic phase separation of block polymers, Pluronic 64(PL64)and Pluronic 25R4 (25R4), was investigated by dissipative particle dynamics(DPD)simulation, and the dynamics process of different aggregates in the solution was simulated. The results showed that: different morphologies were found in solutions of polymer with different concentrations including dispersive phase, spherical micelle, bicontinuous phase and so on. One conclusion is that the DPD simulation can be considered as an adjunct for the experiments, to provide information at the mesoscopic level.

Key words: Dissipative particles dynamics simulation, Mesoscopic simulation,  Block polymer