Self-Accumulation of Aromatics at the Oil-Water Interface through Weak Hydrogen Bonding

被引：187

作者：

Kunieda, Makoto ^{[1
]}

Nakaoka, Kennichi ^{[1
]}

Liang, Yunfeng ^{[1
]}

Miranda, Caetano R. ^{[1
,2
]}

Ueda, Akira ^{[1
]}

Takahashi, Satoru ^{[3
]}

Okabe, Hiroshi ^{[3
]}

Matsuoka, Toshifumi ^{[1
]}

机构：

[1] Kyoto Univ, Dept Urban Management, Kyoto 6158540, Japan

[2] Univ Fed ABC, BR-09210170 Santo Andre, SP, Brazil

[3] Japan Oil Gas & Met Natl Corp, Chiba 2610025, Japan

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2010年 / 132卷 / 51期

基金：

巴西圣保罗研究基金会;

关键词：

LIQUID-LIQUID INTERFACES; MOLECULAR-DYNAMICS; HYDROPHOBIC SURFACES; RAMAN-SPECTROSCOPY; ALKANE INTERFACE; BENZENE; SIMULATION; ADSORPTION; HYDRATION; TENSION;

D O I：

10.1021/ja107519d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

It is well-known that the amphiphilic solutes are surface-active and can accumulate at the oil-water interface. Here, we have investigated the water and a light-oil model interface by using molecular dynamic simulations. It was found that aromatics concentrated in the interfacial region, whereas the other hydrocarbons were uniformly distributed throughout the oil phase. Similar to previous studies, such concentrations were not observed at pure aromatics-water interfaces. We show that the self-accumulation of aromatics at the oil-water interface is driven by differences in the interfacial tension, which is lower for aromatics-water than between the others. The weak hydrogen bonding between the aromatic rings and the water protons provides the mechanism for lowering the interfacial tension.

引用

页码：18281 / 18286

页数：6

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