Intrinsic structure of hydrophobic surfaces:: The oil-water interface

被引:71
作者
Bresme, Fernando [1 ]
Chacon, Enrique [2 ]
Tarazona, Pedro [3 ]
Tay, Kafui [1 ,4 ]
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England
[2] CSIC, Inst Ciencia Mat Madrid, Madrid, Spain
[3] Univ Autonoma Madrid, Dept Fis Teorica Mat Condensada, Madrid, Spain
[4] Univ Paris 11, Chim Phys Lab, F-91405 Orsay, France
关键词
D O I
10.1103/PhysRevLett.101.056102
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We investigate the water-oil interface using molecular dynamics simulations of realistic models of alkanes and water. The intrinsic density profiles are computed using a methodology that removes the smoothing effect of the capillary waves. We show that at 300 K the intrinsic width of the gap separating the oil and water phases spans little more than one water molecule diameter, and undergoes very weak short-ranged fluctuations, indicating that the water-oil interface is a rigid molecular structure at ambient temperature. Only near the drying transition (above 500 K for dodecane), the gap features uncoupled fluctuations of the oil and water surfaces, as expected in a typical drying structure. We find that the intrinsic structure of water next to the oil phase is remarkably similar to the bare water-vapor interface.
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页数:4
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