动力学研究表面活性剂胶束化熵
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- 英文论文题名：A molecular dynamics study on the origins of entropy change for the amphiphilic molecule in micellization
- 论文作者：刘国魁 ; 苑世领 ; 刘成卜
- 英文论文作者：Guokui Liu ; Shiling Yuan ; Chengbu Liu ; Department of Chemistry ; University of Shandong University
- 年：2016
- 作者机构：山东大学化学与化工学院;
- 论文关键词：动力学 ; 胶束化过程 ; 熵
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第三十一分会：胶体与界面化学
- 语种：中文
- 分类号：O647.2
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第三十一分会 ; 胶体与界面化学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：250k
- 原文格式：D
- 会议级别：全国
摘要
表面活性剂形成胶束的过程,是个熵主导的过程。实验上可以测得该过程的熵增,却无法区分熵的来源,即源自表面活性剂的熵增加还是水分子的熵增加。本文采用动力学的方法,直接计算表面活性剂胶束化过程中构型熵的变化,结合实验数据,对胶束化的熵变的来源给予了解释。
The aggregation process of amphiphilic molecules in aqueous solution at room temperature is entropy control in thermodynamics.Entropy change in micellization can be calculated indirectly using experimental methods.However,these experiments cannot distinguish the contribution of iceberg structures or amphiphilic molecules.Based on available experimental results and this molecular dynamics study,a reasonable physical picture that leads to the entropy increase in micellization has been obtained.
The aggregation process of amphiphilic molecules in aqueous solution at room temperature is entropy control in thermodynamics.Entropy change in micellization can be calculated indirectly using experimental methods.However,these experiments cannot distinguish the contribution of iceberg structures or amphiphilic molecules.Based on available experimental results and this molecular dynamics study,a reasonable physical picture that leads to the entropy increase in micellization has been obtained.
引文
[1]M.J.Rosen and J.T.Kunjappu,Micelle Formation by Surfactants,In Surfactants and Interfacial Phenomena,John Wiley&Sons,Inc.,2012,pp.123–201.
[2]I.Andricioaei and M.Karplus,J.Chem.Phys.,2001,115:6289.
[2]I.Andricioaei and M.Karplus,J.Chem.Phys.,2001,115:6289.