物理化学学报 >> 2011, Vol. 27 >> Issue (03): 520-529.doi: 10.3866/PKU.WHXB20110328

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介观模拟方法研究高分子表面活性剂在水介质中的聚集行为

庞瑾瑜1, 吕鑫2, 张健2, 苑世领1, 徐桂英1   

  1. 1. 山东大学胶体与界面化学教育部重点实验室, 济南 250100;
    2. 中海油研究总院技术研发中心, 海洋石油高效开发国家重点实验室, 北京 100027
  • 收稿日期:2010-10-27 修回日期:2011-01-07 发布日期:2011-03-03
  • 通讯作者: 徐桂英 E-mail:xuguiying@sdu.edu.cn
  • 基金资助:

    中国科学技术重大研究特别项目(2008ZX05024-002)资助

Mesoscopic Simulations on the Aggregation Behavior of Polymeric Surfactants in Aqueous Solutions

PANG Jin-Yu1, Lü Xin2, ZHANG Jian2, YUAN Shi-Ling1, XU Gui-Ying1   

  1. 1. Key Laboratory of Colloid and Interface Chemistry (Shandong University), Ministry of Education, Jinan 250100, P. R. China;
    2. Technology Research Center of China National Offshore Oil Corporation, State Key Laboratory of Offshore Oil Exploitation, Beijing 100027, P. R. China
  • Received:2010-10-27 Revised:2011-01-07 Published:2011-03-03
  • Contact: XU Gui-Ying E-mail:xuguiying@sdu.edu.cn
  • Supported by:

    The project was supported by the Special Program for Major Research of the Science and Technology, China (2008ZX05024-002).

摘要:

高分子表面活性剂已广泛应用于许多领域, 其构型复杂、分子量大等特点使其聚集行为不同于小分子表面活性剂. 从微观上认识其聚集行为可为应用提供指导, 因而此方面的研究倍受关注. 计算机模拟技术的发展使我们能成功地在微观或介观水平上获得高分子表面活性剂聚集行为的信息. 本文综述了耗散粒子动力学(DPD)和介观动力学(MesoDyn)在高分子表面活性剂聚集行为研究中的应用. 着重介绍了这两种介观模拟方法研究单一高分子表面活性剂溶液的相行为及其与低分子表面活性剂之间的相互作用, 揭示了实验中难以观测的微观相分离及聚集体结构形态的变化规律. 这些信息可以为实验研究提供指导和补充.

关键词: 高分子表面活性剂, 低分子表面活性剂, 耗散粒子动力学, 介观动力学, 聚集行为

Abstract:

Polymeric surfactants are widely used in many fields. Their aggregation behavior is different from that of small molecule surfactants because of complex configurations and large molecular weights. The studies of aggregation behavior at the micro-level can guide applications and therefore, many researchers have focused on theoretical investigations. With the recent advances in computer simulations, the study of surfactant aggregation behavior in aqueous solutions at the micro- or meso-level has been successfully undertaken. Based on our recent work, we review the aggregation behavior of polymeric surfactants by dissipative particle dynamics (DPD) and mesoscopic dynamics (MesoDyn). This paper especially introduces research about the phase behavior of polymeric surfactants as well as their interactions with low molecular weight surfactants. This method can directly provide the process of phase separations and changes in the conformation of the aggregates, which are not observable in macro- experiments. This method has the potential to complement and guide experimental methods.

Key words: Polymeric surfactant, Low molecular weight surfactant, Dissipative particle dynamics, Mesoscopic dynamics, Aggregation behavior

MSC2000: 

  • O648