| 本文已被：浏览次 下载次 |
码上扫一扫！ |
|
|
|
| Molecular dynamics simulation on adsorption behavior of 1 (2 hydroxyethyl) 2 alkyl imidazoline corrosion inhibitor at Fe surface |
|
ZHANG Jun1, JIANG Juan juan2, REN Zhen jia1, YU Wei zhao3, YU Li jun1, QIAO Gui min1
|
|
(1.College of Physics Science and Technology in China University of Petroleum, Dongying 257061, China;2.Offshore Oil Engineering (Qingdao) Corporation Ltd, Qingdao 266520, China;3.College of Petroleum Engineering in China University of Petroleum, Qingdao 266555, China)
|
| Abstract: |
| The adsorption behaviors of six kinds of 1 (2 hydroxyethyl) 2 alkyl imidazoline corrosion inhibitors with different chain length on Fe(001) surface were studied in liquid conditions by molecular dynamics simulation method. The results show that all polar head groups of six corrosion inhibitors attached to the Fe surface, and the imidazoline rings were nearly paralleled to the surface. The alkyl chains located in the liquid phase and inclined toward the Fe surface with a certain angle. With the increase of the chain length, the binding stabilization of inhibitor molecules on the Fe surface gradually strengthened and the compactness of inhibitor monolayer also enhanced. The inhibition performances of six inhibitor molecules by theoretical method agree well with experimental results. |
| Key words: adsorption molecular dynamics simulation imidazoline corrosion inhibitor Fe surface |
|
|