蒸汽凝结水中十八胺超分子缓蚀剂对碳钢的保护研究

分别采用分子动力学与半经验量子化学法，对羟丙基-β-环糊精(HP-β-CD)与十八胺(ODA)超分子包合体系的稳定构象进行了研究。以旋转挂片实验得到的碳钢腐蚀速率为基础，通过Arrhenius方程和过渡态理论，分析了该包合物在蒸汽凝结水中对碳钢的防腐蚀机理。热力学计算及俄歇电子能谱(AES)的结果显示，包合物中的ODA分子会克服其与HP-β-CD分子间非共价键作用，以吸附的形式在碳钢表面形成保护膜，且吸附过程符合Langmuir等温式；在流动的凝结水中，包合物中的 ODA分子以一定倾斜角度在碳钢表面吸附。

Corrosion inhibition effect of a supramolecular inhibitor based on octadecylamine for carbon steel in condensate water

The stable conformations of the inclusion complex between octadecylamine (ODA) and hydroxypropyl-β-cyclodextrin (HP-β-CD), prepared in our previous study, have been discussed using the methods of molecular dynamics and semi-empirical quantum chemistry. Based on the results of rotary weight loss tests, the corrosion inhibition mechanism of the complex for carbon steel in condensate water was obtained through analysis of the thermodynamic data obtained from the Arrhenius equation and transition state theory. Thermodynamic parameters and the results of Auger electron spectroscopy (AES) indicated that ODA molecules can overcome the non-covalent interaction with HP-β-CD, and be released on the surface of carbon steel. ODA molecules were found to protect the metal through adsorption and obey the Langmuir adsorption isotherm; additionally, ODA molecules from the complex may be adsorbed at an angle on the surface of carbon steel in flowing condensate water.