MOLECULAR-DYNAMICS OF ADSORPTION AND SEGREGATION FROM AN ALKANE MIXTURE

被引:88
作者
XIA, TK
LANDMAN, U
机构
[1] School of Physics, Georgia Institute of Technology, Atlanta
关键词
D O I
10.1126/science.261.5126.1310
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Adsorption and segregation of n-hexadecane molecules from an equal by weight mixture of n-hexadecane and n-hexane to an Au(001) surface at 315 kelvin are studied with the use of molecular dynamics simulations. Preferential adsorption of n-hexadecane at the solid-to-liquid interface together with subsequent layer-by-layer growth of an ordered, wetting interface were observed. The long chains penetrate and adsorb at the interfacial layer by means of a sequential segmental mechanism involving end-segment anchoring and displacive desorption of preadsorbed n-hexane molecules.
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页码:1310 / 1312
页数:3
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