超临界二氧化碳反相微乳体系的介观模拟研究
首发时间:2010-01-15
摘要:超临界二氧化碳(Sc-CO2)作为一种绿色溶剂已经得到愈来愈多的重视。其中在Sc-CO2引入表面活性剂分子可增加极性物质在超临界二氧化碳中的溶解,极大地拓展了Sc-CO2的应用。研究水/表面活性剂/Sc-CO2的结构自组装对于设计和应用基于超临界CO2流体的反胶束微乳化过程有着重要的理论指导意义。本文采用扩散粒子动力学(DPD) 介观模拟方法,对双链离子型表面活性剂(二(2,2,3,3,4,4,5,5-氟-1-己基)琥珀酸酯磺酸钠 (di-HCF4))+水+二氧化碳(溶剂)体系进行了模拟,模拟研究所形成的反相微乳状表面活性剂聚集体的结构性质。模拟观测了在超临界二氧化碳中表面活性剂不同组成下的聚集形态,以及反相微乳结构形成的动态形成过程,同时考察了微乳体系的相形态与温度和压力关系。
关键词: 耗散颗粒动力学 超临界CO2 反相微乳 表面活性剂
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Mesoscopic simulation of reversed micelle Micromulsion in supercritical carbon dioxide
Abstract:In recent years, supercritical carbon dioxide (ScCO2) has received considerable attention as a green solvent. In particular, addition of CO2-philic surfactant into the ScCO2 can enhance the solubility of polar substances in ScCO2 phase, therefore expanding the potential application of ScCO2 technology. The study of self-assembly structure of surfacetant/water/scCO2 is very central to the design and application of the ScCO2-based reverse micelle microemulsion process. In this study, the DPD mescscopic simulation was performed to study the system of dichain surfactant (di-HCF4)+water+ScCO2. The structure behavior of self-assembly for the formed reversed microemulsion has been simulated. The aggregation morphology under various concentrations of surfactant and the dynamic self-assembly process has been observed. The effect of temperature and pressure on the structure of self-assembly has been investigated.
Keywords: Dissipative particle dynamics Supercritical CO2 Reverse Micelles Surfactant
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No.3904751273312635****
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