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

引用本文: 庞瑾瑜, 吕鑫, 张健, 苑世领, 徐桂英. 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[J]. 物理化学学报, 2011, 27(03): 520-529. doi: 10.3866/PKU.WHXB20110328 shu

Citation: PANG Jin-Yu, Lü Xin, ZHANG Jian, YUAN Shi-Ling, XU Gui-Ying. Mesoscopic Simulations on the Aggregation Behavior of Polymeric Surfactants in Aqueous Solutions[J]. Acta Physico-Chimica Sinica, 2011, 27(03): 520-529. doi: 10.3866/PKU.WHXB20110328 shu

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,

基金项目:
中国科学技术重大研究特别项目(2008ZX05024-002)资助 (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:

English

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

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 Date: 27 October 2010
Available Online: 03 March 2011
Fund Project:
中国科学技术重大研究特别项目(2008ZX05024-002)资助

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:

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沈阳化工大学材料科学与工程学院沈阳 110142

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

English

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

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

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

English

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

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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