Study on the Phase Behavior and Molecular Dynamics Simulation of a Supercritical Carbon Dioxide Microemulsion Containing Ionic Liquid
Study on the Phase Behavior and Molecular Dynamics Simulation of a Supercritical Carbon Dioxide Microemulsion Containing Ionic Liquid
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DOI：
10.1021/acs.iecr.7b00452
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发表时间：
2017-03
影响因子：
4.2
通讯作者：
Hong-rui Ren;Xiang-Dong Liang;Dan Zhou;Jianzhong Yin
中科院分区：
文献类型：
--
作者：
Hong-rui Ren;Xiang-Dong Liang;Dan Zhou;Jianzhong Yin
研究了基于LS-mn（LS-36、LS-45和LS-54）表面活性剂的超临界CO2微乳液对1-丁基-3-甲基咪唑四氟硼酸盐（[Bmim][BF 4]）的增溶效果及其影响因素。结果表明，增加水含量（W 0）可促进[Bmim][BF 4]的溶解。在相同条件下，由LS-54、LS-45和LS-36组成的微乳液体系对[Bmim][BF 4]的溶解能力逐渐降低。而表面活性剂浓度的变化对[Bmim][BF_4]的溶解影响不大。此外，适量乙醇的引入降低了体系的CPP，但对[Bmim][BF 4]的溶出没有明显的促进作用。分子动力学（MD）模拟实现了洞察的微观结构，并证明了微乳液的形成。
We investigated the solubilization effect of a supercritical carbon dioxide microemulsion based on LS-mn (LS-36, LS-45, and LS-54) surfactants for 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) as well as the influencing factors by analyzing the cloud point pressure (CPP) curves, which served as a function of dissolved IL concentration. Results show that increased water content (W0) could enhance [Bmim][BF4] dissolution. Under the same conditions, microemulsion systems consisting of LS-54, LS-45, and LS-36 have the gradually decreased the dissolving capacity for [Bmim][BF4]. However, variation of the surfactant concentration has little influence on dissolving [Bmim][BF4]. In addition, introducing appropriate amounts of ethanol could decrease the CPP of the system, which did not bring significant enhancement on [Bmim][BF4] dissolution. Molecular dynamics (MD) simulation was implemented to give an insight about the microstructure and prove the formation of the microemulsion.