Quantum chemical approach to the description of the amphiphile clusterization at the air/liquid and liquid/liquid interfaces with phase nature accounting. II. 1-(n-Alkyl)-imidazoles at the air/water interface
详细信息 查看全文
- 作者：Yu. B. Vysotskya ; E.A. Belyaevab ; E.S. Kartashynskaa ; V.B. Fainermanc ; D. Vollhardtd ; vollhardt@mpikg.mpg.de" class="auth_mail" title="E-mail the corresponding author ; N.A. Smirnovab
- 关键词：Quantum chemistry ; Semi-empirical PM3 method ; 1-(n-Alkyl)-imidazoles ; Monolayer ; Thermodynamic parameters ; Two-dimensional lattice structure
- 刊名：Colloids and Surfaces A: Physicochemical and Engineering Aspects
- 出版年：2016
- 出版时间：5 April 2016
- 年：2016
- 卷：494
- 期：Complete
- 页码：209-221
- 全文大小：1546 K
文摘
- •
New semi-empirical quantum chemical model for the description of Langmuir monolayers.
- •
Calculation of lattice data of hexagonal and oblique 1-alkylimidazole monolayers.
- •
Formation of alkylimidazole monolayers for chain lengths ≥14–15C-atoms.
- •
The probable way of the clusterization process is proposed.