Formation of ordered structure in Langmuir monolayers of semifluorinated hydrocarbons: Molecular dynamics simulations

被引：19

作者：

Kim, N

Shin, S ^{[1
]}

机构：

[1] Seoul Natl Univ, Dept Chem, Seoul 151742, South Korea

[2] Seoul Natl Univ, Ctr Mol Catalysis, Seoul 151742, South Korea

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 21期

关键词：

D O I：

10.1063/1.478956

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report the results of molecular dynamics simulations of Langmuir monolayers of a semifluorinated hydrocarbon molecule F(CF2)(12)(CH2)(18) H. Our simulations show that highly ordered structures are formed at low temperature after quenching from a random structure at high temperature. The structural formation process of the monolayer is characterized by a decrease in the gauche defects of the hydrocarbon block and an increase in the global bond-orientational order throughout the chain molecules. It is also found that the monolayer structure consists of mixed orientations for the head-group-free F(CF2)(12)(CH2)(18) H molecule, with a slightly larger fraction for a hydrocarbon-down, fluorocarbon-up configuration. (C) 1999 American Institute of Physics. [S0021-9606(99)71621-1].

引用

页码：10239 / 10242

页数：4

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