کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5417039 1506899 2010 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols
چکیده انگلیسی
Molecular dynamics simulations of self-assembled monolayers (SAMs) of alkanethiol derivatives interfaced with water reveal the structure of the interface and show how it influences the properties of water. Three SAMs of different character (neutral, anionic and cationic) are compared: 6-hexanethiol, 11-mercaptoundecanoic acid and 11-amino-1-undecanethiol. The simulation captures phenomena such as the hydrophobic gap, local increase of the density of water near the interface and ordering of water into layers.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 946, Issues 1–3, 30 April 2010, Pages 83-87
نویسندگان
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