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化学学报
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化学学报 ›› 2002, Vol. 60 ›› Issue (4): 585-589. 上一篇    下一篇

研究论文

表面活性剂与聚合物相互作用的动力学模拟

苑世领;徐桂英;蔡政亭   

  1. 山东大学,济南(250100);山东大学理论化学研究所,济南(250100)
  • 发布日期:2002-04-15

A Dynamic Simulation on the Interaction between Polymer and Surfactant in Aqueous Solution

Yuan Shiling;Xu Guiying;Cai Zhengting   

  1. Institute of Colloid and Interface Chemistry, Shandong University, Jinan(250100);Institute of Theoretical Chemistry, Shandong University, Jinan(250100)
  • Published:2002-04-15

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639

被引次数

108 | 17

用扩散颗粒动力学模拟方法（Dissipative Particle Dynamics，DPD）模拟了 中性聚合物与离子型表面活性剂的相互作用。在分子水平上研究了介于微观和宏观 上的一些性质，直观地用三维图形描绘了聚合物在表面活性剂溶液中的聚集形成， 并通过聚合物的末端的变化表征了聚集过程。结果发现：随着表面活性剂浓度的增 加，聚合物呈现自由伸缩→形成松散的棒状结构→再出现胶束状珍珠链结构→最终 在六角状和层状相中分布的过程。DPD模拟方法能够直观地得到聚合物在表面活性 剂溶液中的聚集形态。

关键词: 动力学研究, 表面活性剂, 聚合物, 相互作用, 聚集体

The interaction between polymer and ionic surfactants has been studied in aqueous solution using dissipative particle dynamics (DPD) simulation. Mesoscopic properties of a polymer-surfactant complex were discussed in a molecular level, and the polymer morphologies in the surfactant solution were investigated using three dimensions coordinate. At the same time, the process of aggregation between polymer and surfactant was discussed using the endpoint distance of polymer. One conclusion is drawn that the aggregation morphologies of polymer in micelles solution can be obtained using DPD simulation method. With increasing the volume fraction of the surfactant, the polymer may have different configurations including free spread, elongated rod, a necklace of micelle pearls, extending in the hexagonal and lamellar phases.

Key words: KINETIC STUDY, SURFACTANTS, POLYMER, INTERACTIONS, AGGREGALES

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